We study the three-dimensional many-particle quantum dynamics in mean-field set-ting.We forge together the hierarchy method and the modulated energy method.We prove rigorously that the compressible Euler equation is t...We study the three-dimensional many-particle quantum dynamics in mean-field set-ting.We forge together the hierarchy method and the modulated energy method.We prove rigorously that the compressible Euler equation is the limit as the particle num-ber tends to infinity and the Planck’s constant tends to zero.We improve the previous sufficient small time hierarchy argument to any finite time via a new iteration scheme and Strichartz bounds first raised by Klainerman and Machedon in this context.We establish strong and quantitative microscopic to macroscopic convergence of mass and momentum densities up to the 1st blow up time of the limiting Euler equation.We justify that the macroscopic pressure emerges from the space-time averages of micro-scopic interactions via the Strichartz-type bounds.We have hence found a physical meaning for Strichartz-type bounds.展开更多
We study the three dimensional quantum many-body dynamics with repulsive Coulomb interaction in the mean-field setting.The Euler-Poisson equation is its limit as the particle number tends to infinity and Planck’s con...We study the three dimensional quantum many-body dynamics with repulsive Coulomb interaction in the mean-field setting.The Euler-Poisson equation is its limit as the particle number tends to infinity and Planck’s constant tends to zero.By a new scheme combining the hierarchy method and the modulated energy method,we establish strong and quantitative microscopic to macroscopic convergence of mass and momentum densities as well as kinetic and potential energies before the 1st blow up time of the limiting Euler-Poisson equation.展开更多
In this paper, we deduce the analytical form of many-body interatomic potentials based on the Green's function in tight-binding representation. The many-body potentials are expressed as the functions of the hoppin...In this paper, we deduce the analytical form of many-body interatomic potentials based on the Green's function in tight-binding representation. The many-body potentials are expressed as the functions of the hopping integrals which are the physical origin of cohesion of atoms. For thesimple case of s-valent system, the inversion of the many-body potentials are discussed in detail by using the lattice inversion method.展开更多
Quantum simulation has been developed extensively over the past decades,widely applied to different models to explore dynamics in the quantum regime.Rydberg atoms have strong dipole-dipole interactions and interact wi...Quantum simulation has been developed extensively over the past decades,widely applied to different models to explore dynamics in the quantum regime.Rydberg atoms have strong dipole-dipole interactions and interact with each other over a long distance,which makes it straightforward to build many-body interacting quantum systems to simulate specific models.Additionally,neutral atoms are easily manipulated due to their weak interactions.These advantages make Rydberg many-body system an ideal platform to implement quantum simulations.This paper reviews several quantum simulations for different models based on Rydberg many-body systems,including quantum Ising models in one dimension and two dimensions mainly for quantum magnetism,XY model for excitation transport,SSH model for symmetry-protected topological phases,and critical self-organized behaviors in many-body systems.Besides,some challenges and promising directions of quantum simulations based on Rydberg many-body system are discussed in this paper.展开更多
This article presents an elementary introduction on various aspects of the prototypical integrable model the LiebLiniger Bose gas ranging from the cooperative to the collective features of many-body phenomena. In 1963...This article presents an elementary introduction on various aspects of the prototypical integrable model the LiebLiniger Bose gas ranging from the cooperative to the collective features of many-body phenomena. In 1963, Lieb and Liniger first solved this quantum field theory many-body problem using Bethe's hypothesis, i.e., a particular form of wavefunction introduced by Bethe in solving the one-dimensional Heisenberg model in 1931. Despite the Lieb-Liniger model is arguably the simplest exactly solvable model, it exhibits rich quantum many-body physics in terms of the aspects of mathematical integrability and physical universality. Moreover, the Yang-Yang grand canonical ensemble description for the model provides us with a deep understanding of quantum statistics, thermodynamics, and quantum critical phenomena at the many-body physical level. Recently, such fundamental physics of this exactly solved model has been attracting growing interest in experiments. Since 2004, there have been more than 20 experimental papers that rbported novel observations of different physical aspects of the Lieb--Liniger model in the laboratory. So far the observed results are in excellent agreement with results obtained using the analysis of this simplest exactly solved model. Those experimental observations reveal the unique beauty of integrability.展开更多
The necessary derivation of negative mass in dispersion dynamics suggests cosmic applications. The method analyzes functional relationships between particle angular frequency, wave vector, rest mass and electromagneti...The necessary derivation of negative mass in dispersion dynamics suggests cosmic applications. The method analyzes functional relationships between particle angular frequency, wave vector, rest mass and electromagnetic or nuclear potential, f(ω, k, m0, V) = 0. A summary of consequential predictions of the dynamics leads to a calculation of ways in which negative mass might influence such phenomena as the rotational velocities that are observed in spiral galaxies. The velocities are found to be not Newtonian in the simple two body approximations for our solar system;but nearly constant with increasing orbital radii. It has moreover been suggested that the motion is due to halo structures of dark matter or dark energy. However, the motion is simply described by many-body gravitation that is transmitted along elastic spiral arms. In this context, we calculate possible effects of negative mass, but without observational confirmation.展开更多
Employing the advanced relativistic configuration interaction(RCI)combined with the many-body perturbation theory(RMBPT)method,we report energies and lifetime values for the lowest 35 energy levels from the(1s^(2))nl ...Employing the advanced relativistic configuration interaction(RCI)combined with the many-body perturbation theory(RMBPT)method,we report energies and lifetime values for the lowest 35 energy levels from the(1s^(2))nl configurations(where the principal quantum number n=2–6 and the angular quantum number l=0,...,n-1)of lithium-like iron Fe XXIV,as well as complete data on the transition wavelengths,radiative rates,absorption oscillator strengths,and line strengths between the levels.Both the allowed(E1)and forbidden(magnetic dipole M1,magnetic quadrupole M2,and electric quadrupole E2)ones are reported.Through detailed comparisons with previous results,we assess the overall accuracies of present RMBPT results to be likely the most precise ones to date.Configuration interaction effects are found to be very important for the energies and radiative properties for the ion.The present RMBPT results are valuable for spectral line identification,plasma modeling,and diagnosing.展开更多
In this paper, an extended spectral theorem is given, which enables one to calculate the correlation functions when complex eigenvalues appear. To do so, a Fourier transformation with a complex argument is utilized. W...In this paper, an extended spectral theorem is given, which enables one to calculate the correlation functions when complex eigenvalues appear. To do so, a Fourier transformation with a complex argument is utilized. We treat all the Matsbara frequencies, including Fermionic and Bosonic frequencies, on an equal footing. It is pointed out that when complex eigenvalues appear, the dissipation of a system cannot simply be ascribed to the pure imaginary part of the Green function. Therefore, the use of the name fluctuation-dissipation theorem should be careful.展开更多
Heat and mass transfer during the process of liquid droplet dynamic behaviors has attracted much attention in decades.At mesoscopic scale,numerical simulations of liquid droplets motion,such as impacting,sliding,and c...Heat and mass transfer during the process of liquid droplet dynamic behaviors has attracted much attention in decades.At mesoscopic scale,numerical simulations of liquid droplets motion,such as impacting,sliding,and coalescence,have been widely studied by using the particle-based method named many-body dissipative particle dynamics(MDPD).However,the detailed information on heat transfer needs further description.This paper develops a modified MDPD with energy conservation(MDPDE)by introducing a temperature-dependent long-term attractive interaction.By fitting or deriving the expressions of the strength of the attractive force,the exponent of the weight function in the dissipative force,and the mesoscopic heat friction coefficient about temperature,we calculate the viscosity,self-diffusivity,thermal conductivity,and surface tension,and obtain the Schmidt number Sc,the Prandtl number P r,and the Ohnesorge number Oh for 273 K to 373 K.The simulation data of MDPDE coincide well with the experimental data of water,indicating that our model can be used to simulate the dynamic behaviors of liquid water.Furthermore,we compare the equilibrium contact angle of droplets wetting on solid surfaces with that calculated from three interfacial tensions by MDPDE simulations.The coincident results not only stand for the validation of Young’s equation at mesoscale,but manifest the reliability of our MDPDE model and applicability to the cases with free surfaces.Our model can be extended to study the multiphase flow withcomplex heat and mass transfer.展开更多
Although the many-body expansion(MBE)approach is widely applied to estimate the energy of large systems containing weak interactions,it is inapplicable to calculating the energies of covalent or metal clusters.In this...Although the many-body expansion(MBE)approach is widely applied to estimate the energy of large systems containing weak interactions,it is inapplicable to calculating the energies of covalent or metal clusters.In this work,we propose an interaction manybody expansion(IMBE)to calculate the energy of atomic clusters containing covalent bonds.In this approach,the energy of a system is expressed as the sum of the energy of atoms and the interaction energy between the atom and its surrounding atoms.The IMBE method is first applied to calculate the energies of nitrogen clusters,in which the interatomic interactions are truncated to four-body terms.The results show that the IMBE approach could significantly reduce the energy error for nitrogen clusters compared with the traditional MBE method.The weak size and structure dependence of the IMBE error with respect to DFT calculations indicates the IMBE method has good potential application in estimating energy of large covalent systems.展开更多
We study the charge oscillation in the triangular quantum dots symmetrically coupled to the leads. A strong charge oscillation is observed even for a very small level difference. We attribute this oscillation behaviou...We study the charge oscillation in the triangular quantum dots symmetrically coupled to the leads. A strong charge oscillation is observed even for a very small level difference. We attribute this oscillation behaviour to the many- body effect in the strongly correlated system instead of the physical scenarios based on the mean-field approach in the previous works for the two-level dot. The level difference induces the difference of the occupations between different dots, while the symmetry of the many-body states favours the homogeneous distribution of the charge density on the three dots. The interplay of these two factors results in the charge oscillation.展开更多
In this paper the tensor probability current and continuity equation is obtained, with this the correlated cross section of many particle scattering can be evaluation.
The interaction between 1,2,3-triazine and three water molecules was studied using density functional theory B3LYP method at 6-31-t++G^** basis set. Various structures for 1,2,3-triazine-(water)n (n= 1, 2, 3) ...The interaction between 1,2,3-triazine and three water molecules was studied using density functional theory B3LYP method at 6-31-t++G^** basis set. Various structures for 1,2,3-triazine-(water)n (n= 1, 2, 3) complex were investigated and the different lower energy structures were reported. Many-body analysis was also carded out to obtain relaxation energy and many-body interaction energy (two, three, and four-body), and the most stable conformer has the basis set superposition error corrected interaction energy of -- 102.61 kJ/mol. The relaxation energy, two- and three-body interactions have significant contribution to the total interaction energy whereas four-body interaction was very small for 1,2,3-triazine-(water)3 complex.展开更多
An extended electron model fully recovers many of the experimental results of quantum mechanics while it avoids many of the pitfalls and remains generally free of paradoxes. The formulation of the manybody electronic ...An extended electron model fully recovers many of the experimental results of quantum mechanics while it avoids many of the pitfalls and remains generally free of paradoxes. The formulation of the manybody electronic problem here resembles the Kohn Sham formulation of standard density functional theory. However, rather than referring electronic properties to a large set of single electron orbitals, the extended electron model uses only mass density and field components, leading to a substantial increase in computational efficiency. To date, the Hohenberg-Kohn theorems have not been proved for a model of this type, nor has a universal energy functional been presented. In this paper, we address these problems and show that the Hohenberg Kohn theorems do also hold for a density model of this type. We then present a proof^of^concept practical implementation of this method and show that it reproduces the accuracy of more widely used methods on a test-set of small atomic systems, thus paving the way for the development of fast, efficient and accurate codes on this basis.展开更多
Recent developments in the study of ultracold Rydberg gases demand an adwanced level of experimental sophistication, in which high atomic and optical densities must be combined with excellent control of external field...Recent developments in the study of ultracold Rydberg gases demand an adwanced level of experimental sophistication, in which high atomic and optical densities must be combined with excellent control of external fields and sensitive Rydberg atom detection. We describe a tailored experimental system used to produce and study Rydberg-interacting atoms excited from dense ultracold atomic gases. The experiment has been optimized for fast duty cycles using a high flux cold atom source and a three beam optical dipole trap. The latter enables tuning of the atomic density and temperature over several orders of magnitude, all the way to the Bose--Einstein condensation transition. An elec- trode structure surrounding the atoms allows for precise control over electric fields and single-particle sensitive field ionization detection of Rydberg atoms. We review two experiments which highlight the influence of strong Rydberg---Rydberg interactions on different many-body systems. First, the Rydberg blockade effect is used to pre-structure an atomic gas prior to its spontaneous evolution into an ultracold plasma. Second, hybrid states of photons and atoms called dark-state polaritons are studied. By looking at the statistical distribution of Rydberg excited atoms we reveal correlations between dark-state polaritons. These experiments will ultimately provide a deeper understanding of many-body phenomena in strongly-interacting regimes, including the study of strongly-coupled plasmas and interfaces between atoms and light at the quantum level.展开更多
In this work,we develop a new many-body potential for alpha-hafnium(α-Hf)based on the second moment approximation of tight-binding(TB-SMA)theory by introducing an additional Heaviside step function into the potential...In this work,we develop a new many-body potential for alpha-hafnium(α-Hf)based on the second moment approximation of tight-binding(TB-SMA)theory by introducing an additional Heaviside step function into the potential model and a new analytical scheme of density function.All the parameters of the new potential have been systematically evaluated by fitting to ground-state properties including cohesive energy,lattice constants,elastic constants,vacancy formation energy,structure stability and equation of state.By using the present model,the melting point,melt heat,thermal expansion coefficient,point defects,and low-index surface energies ofα-Hf were calculated through molecular dynamics simulations.Comparing with experiment observations from others,it is shown that these properties can be reproduced reasonably by the present model,some results being more consistent to the experimental data than those by previous suggested models.This indicates that this work is sutiable in TB-SMA potential for hexagonal close packed metals.展开更多
Using the density functional method B3LYP with relativistic effective core potential (RECP) for Pu atom, the low-lying excited states (^4Σ^+, ^6Σ^+, ^8Σ^+) for three structures of PuOH molecule were optimize...Using the density functional method B3LYP with relativistic effective core potential (RECP) for Pu atom, the low-lying excited states (^4Σ^+, ^6Σ^+, ^8Σ^+) for three structures of PuOH molecule were optimized. The results show that the ground state is X^6Σ^+ of the linear Pu-O-H (C∞v), its corresponding equilibrium geometry and dissociation energy are RPu-O = 0.20595 nm, RO-H=0.09581 nm and -8.68 eV, respectively. At the same time, two other metastable structures [PuOH (Cs) and H-Pu-O (C∞v)] were found. The analytical potential energy function has also been derived for whole range using the many-body expansion method. This potential energy function represents the considerable topographical features of PuOH molecule in detail, which is adequately accurate in the whole potential surface and can be used for the molecular reaction dynamics research.展开更多
Ramping a physical parameter is one of the most common experimental protocols in studying a quantum system, and ramping dynamics has been widely used in preparing a quantum state and probing physical properties. Here,...Ramping a physical parameter is one of the most common experimental protocols in studying a quantum system, and ramping dynamics has been widely used in preparing a quantum state and probing physical properties. Here, we present a novel method of probing quantum many-body correlation by ramping dynamics. We ramp a Hamiltonian parameter to the same target value from different initial values and with different velocities, and we show that the first-order correction on the finite ramping velocity is universal and path-independent, revealing a novel quantum many-body correlation function of the equilibrium phases at the target values. We term this method as the non-adiabatic linear response since this is the leading order correction beyond the adiabatic limit. We demonstrate this method experimentally by studying the Bose-Hubbard model with ultracold atoms in three-dimensional optical lattices.Unlike the conventional linear response that reveals whether the quasi-particle dispersion of a quantum phase is gapped or gapless, this probe is more sensitive to whether the quasi-particle lifetime is long enough such that the quantum phase possesses a well-defined quasi-particle description. In the BoseHubbard model, this non-adiabatic linear response is significant in the quantum critical regime where well-defined quasi-particles are absent. And in contrast, this response is vanishingly small in both superfluid and Mott insulators which possess well-defined quasi-particles. Because our proposal uses the most common experimental protocol, we envision that our method can find broad applications in probing various quantum systems.展开更多
Harnessing the quantum computation power of the present noisy-intermediate-size-quantum devices has received tremendous interest in the last few years. Here we study the learning power of a one-dimensional long-range ...Harnessing the quantum computation power of the present noisy-intermediate-size-quantum devices has received tremendous interest in the last few years. Here we study the learning power of a one-dimensional long-range randomly-coupled quantum spin chain, within the framework of reservoir computing. In time sequence learning tasks, we find the system in the quantum many-body localized (MBL) phase holds long-term memory, which can be attributed to the emergent local integrals of motion. On the other hand, MBL phase does not provide sufficient nonlinearity in learning highly-nonlinear time sequences, which we show in a parity check task. This is reversed in the quantum ergodic phase, which provides sufficient nonlinearity but compromises memory capacity. In a complex learning task of Mackey–Glass prediction that requires both sufficient memory capacity and nonlinearity, we find optimal learning performance near the MBL-to-ergodic transition. This leads to a guiding principle of quantum reservoir engineering at the edge of quantum ergodicity reaching optimal learning power for generic complex reservoir learning tasks. Our theoretical finding can be tested with near-term NISQ quantum devices.展开更多
In our context,the planetary many-body problem consists of studying the motion of(n+1)-bodies under the mutual attraction of gravitation,where n planets move around a massive central body,the Sun.We establish the exis...In our context,the planetary many-body problem consists of studying the motion of(n+1)-bodies under the mutual attraction of gravitation,where n planets move around a massive central body,the Sun.We establish the existence of real analytic lower dimensional elliptic invariant tori with intermediate dimension N lies between n and 3n-1 for the spatial planetary many-body problem.Based on a degenerate KolmogorovArnold-Moser(abbr.KAM)theorem proved by Bambusi et al.(2011),Berti and Biasco(2011),we manage to handle the difficulties caused by the degeneracy of this real analytic system.展开更多
基金X.Chen was supported in part by NSF grant DMS-2005469 and a Simons fellowship numbered 916862S.Shen was supported in part by the Postdoctoral Science Foundation of China under Grant 2022M720263Z.Zhang was supported in part by NSF of China under Grant 12171010 and 12288101.
文摘We study the three-dimensional many-particle quantum dynamics in mean-field set-ting.We forge together the hierarchy method and the modulated energy method.We prove rigorously that the compressible Euler equation is the limit as the particle num-ber tends to infinity and the Planck’s constant tends to zero.We improve the previous sufficient small time hierarchy argument to any finite time via a new iteration scheme and Strichartz bounds first raised by Klainerman and Machedon in this context.We establish strong and quantitative microscopic to macroscopic convergence of mass and momentum densities up to the 1st blow up time of the limiting Euler equation.We justify that the macroscopic pressure emerges from the space-time averages of micro-scopic interactions via the Strichartz-type bounds.We have hence found a physical meaning for Strichartz-type bounds.
文摘We study the three dimensional quantum many-body dynamics with repulsive Coulomb interaction in the mean-field setting.The Euler-Poisson equation is its limit as the particle number tends to infinity and Planck’s constant tends to zero.By a new scheme combining the hierarchy method and the modulated energy method,we establish strong and quantitative microscopic to macroscopic convergence of mass and momentum densities as well as kinetic and potential energies before the 1st blow up time of the limiting Euler-Poisson equation.
文摘In this paper, we deduce the analytical form of many-body interatomic potentials based on the Green's function in tight-binding representation. The many-body potentials are expressed as the functions of the hopping integrals which are the physical origin of cohesion of atoms. For thesimple case of s-valent system, the inversion of the many-body potentials are discussed in detail by using the lattice inversion method.
文摘Quantum simulation has been developed extensively over the past decades,widely applied to different models to explore dynamics in the quantum regime.Rydberg atoms have strong dipole-dipole interactions and interact with each other over a long distance,which makes it straightforward to build many-body interacting quantum systems to simulate specific models.Additionally,neutral atoms are easily manipulated due to their weak interactions.These advantages make Rydberg many-body system an ideal platform to implement quantum simulations.This paper reviews several quantum simulations for different models based on Rydberg many-body systems,including quantum Ising models in one dimension and two dimensions mainly for quantum magnetism,XY model for excitation transport,SSH model for symmetry-protected topological phases,and critical self-organized behaviors in many-body systems.Besides,some challenges and promising directions of quantum simulations based on Rydberg many-body system are discussed in this paper.
基金supported by the National Basic Research Program of China(Grant No.2012CB922101)the National Natural Science Foundation of China(Grant Nos.11374331 and 11304357)
文摘This article presents an elementary introduction on various aspects of the prototypical integrable model the LiebLiniger Bose gas ranging from the cooperative to the collective features of many-body phenomena. In 1963, Lieb and Liniger first solved this quantum field theory many-body problem using Bethe's hypothesis, i.e., a particular form of wavefunction introduced by Bethe in solving the one-dimensional Heisenberg model in 1931. Despite the Lieb-Liniger model is arguably the simplest exactly solvable model, it exhibits rich quantum many-body physics in terms of the aspects of mathematical integrability and physical universality. Moreover, the Yang-Yang grand canonical ensemble description for the model provides us with a deep understanding of quantum statistics, thermodynamics, and quantum critical phenomena at the many-body physical level. Recently, such fundamental physics of this exactly solved model has been attracting growing interest in experiments. Since 2004, there have been more than 20 experimental papers that rbported novel observations of different physical aspects of the Lieb--Liniger model in the laboratory. So far the observed results are in excellent agreement with results obtained using the analysis of this simplest exactly solved model. Those experimental observations reveal the unique beauty of integrability.
文摘The necessary derivation of negative mass in dispersion dynamics suggests cosmic applications. The method analyzes functional relationships between particle angular frequency, wave vector, rest mass and electromagnetic or nuclear potential, f(ω, k, m0, V) = 0. A summary of consequential predictions of the dynamics leads to a calculation of ways in which negative mass might influence such phenomena as the rotational velocities that are observed in spiral galaxies. The velocities are found to be not Newtonian in the simple two body approximations for our solar system;but nearly constant with increasing orbital radii. It has moreover been suggested that the motion is due to halo structures of dark matter or dark energy. However, the motion is simply described by many-body gravitation that is transmitted along elastic spiral arms. In this context, we calculate possible effects of negative mass, but without observational confirmation.
基金Project supported by the Research Foundation for Higher Level Talents of West Anhui University(Grant No.WGKQ2021005)。
文摘Employing the advanced relativistic configuration interaction(RCI)combined with the many-body perturbation theory(RMBPT)method,we report energies and lifetime values for the lowest 35 energy levels from the(1s^(2))nl configurations(where the principal quantum number n=2–6 and the angular quantum number l=0,...,n-1)of lithium-like iron Fe XXIV,as well as complete data on the transition wavelengths,radiative rates,absorption oscillator strengths,and line strengths between the levels.Both the allowed(E1)and forbidden(magnetic dipole M1,magnetic quadrupole M2,and electric quadrupole E2)ones are reported.Through detailed comparisons with previous results,we assess the overall accuracies of present RMBPT results to be likely the most precise ones to date.Configuration interaction effects are found to be very important for the energies and radiative properties for the ion.The present RMBPT results are valuable for spectral line identification,plasma modeling,and diagnosing.
文摘In this paper, an extended spectral theorem is given, which enables one to calculate the correlation functions when complex eigenvalues appear. To do so, a Fourier transformation with a complex argument is utilized. We treat all the Matsbara frequencies, including Fermionic and Bosonic frequencies, on an equal footing. It is pointed out that when complex eigenvalues appear, the dissipation of a system cannot simply be ascribed to the pure imaginary part of the Green function. Therefore, the use of the name fluctuation-dissipation theorem should be careful.
基金Project supported by the National Natural Science Foundation of China(Nos.11872283,12002242,11902188,and 12102218)the Shanghai Science and Technology Talent Program(No.19YF1417400)the China Postdoctoral Science Foundation(No.2020M680525)。
文摘Heat and mass transfer during the process of liquid droplet dynamic behaviors has attracted much attention in decades.At mesoscopic scale,numerical simulations of liquid droplets motion,such as impacting,sliding,and coalescence,have been widely studied by using the particle-based method named many-body dissipative particle dynamics(MDPD).However,the detailed information on heat transfer needs further description.This paper develops a modified MDPD with energy conservation(MDPDE)by introducing a temperature-dependent long-term attractive interaction.By fitting or deriving the expressions of the strength of the attractive force,the exponent of the weight function in the dissipative force,and the mesoscopic heat friction coefficient about temperature,we calculate the viscosity,self-diffusivity,thermal conductivity,and surface tension,and obtain the Schmidt number Sc,the Prandtl number P r,and the Ohnesorge number Oh for 273 K to 373 K.The simulation data of MDPDE coincide well with the experimental data of water,indicating that our model can be used to simulate the dynamic behaviors of liquid water.Furthermore,we compare the equilibrium contact angle of droplets wetting on solid surfaces with that calculated from three interfacial tensions by MDPDE simulations.The coincident results not only stand for the validation of Young’s equation at mesoscale,but manifest the reliability of our MDPDE model and applicability to the cases with free surfaces.Our model can be extended to study the multiphase flow withcomplex heat and mass transfer.
基金supported by the National Natural Science Foundation of China(No.21773297,No.21973108,and No.21921004)supported by the National Natural Science Foundation of China(No.21805258)supported by the National Natural Science Foundation of China(No.21973107)。
文摘Although the many-body expansion(MBE)approach is widely applied to estimate the energy of large systems containing weak interactions,it is inapplicable to calculating the energies of covalent or metal clusters.In this work,we propose an interaction manybody expansion(IMBE)to calculate the energy of atomic clusters containing covalent bonds.In this approach,the energy of a system is expressed as the sum of the energy of atoms and the interaction energy between the atom and its surrounding atoms.The IMBE method is first applied to calculate the energies of nitrogen clusters,in which the interatomic interactions are truncated to four-body terms.The results show that the IMBE approach could significantly reduce the energy error for nitrogen clusters compared with the traditional MBE method.The weak size and structure dependence of the IMBE error with respect to DFT calculations indicates the IMBE method has good potential application in estimating energy of large covalent systems.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 11174228 and 10874132)
文摘We study the charge oscillation in the triangular quantum dots symmetrically coupled to the leads. A strong charge oscillation is observed even for a very small level difference. We attribute this oscillation behaviour to the many- body effect in the strongly correlated system instead of the physical scenarios based on the mean-field approach in the previous works for the two-level dot. The level difference induces the difference of the occupations between different dots, while the symmetry of the many-body states favours the homogeneous distribution of the charge density on the three dots. The interplay of these two factors results in the charge oscillation.
文摘In this paper the tensor probability current and continuity equation is obtained, with this the correlated cross section of many particle scattering can be evaluation.
基金Project supported by the Sichuan Province Youth Foundation (No. 05ZQ026-054) and the Natural Science Foundation ot the Education Department of Sichuan Province.
文摘The interaction between 1,2,3-triazine and three water molecules was studied using density functional theory B3LYP method at 6-31-t++G^** basis set. Various structures for 1,2,3-triazine-(water)n (n= 1, 2, 3) complex were investigated and the different lower energy structures were reported. Many-body analysis was also carded out to obtain relaxation energy and many-body interaction energy (two, three, and four-body), and the most stable conformer has the basis set superposition error corrected interaction energy of -- 102.61 kJ/mol. The relaxation energy, two- and three-body interactions have significant contribution to the total interaction energy whereas four-body interaction was very small for 1,2,3-triazine-(water)3 complex.
文摘An extended electron model fully recovers many of the experimental results of quantum mechanics while it avoids many of the pitfalls and remains generally free of paradoxes. The formulation of the manybody electronic problem here resembles the Kohn Sham formulation of standard density functional theory. However, rather than referring electronic properties to a large set of single electron orbitals, the extended electron model uses only mass density and field components, leading to a substantial increase in computational efficiency. To date, the Hohenberg-Kohn theorems have not been proved for a model of this type, nor has a universal energy functional been presented. In this paper, we address these problems and show that the Hohenberg Kohn theorems do also hold for a density model of this type. We then present a proof^of^concept practical implementation of this method and show that it reproduces the accuracy of more widely used methods on a test-set of small atomic systems, thus paving the way for the development of fast, efficient and accurate codes on this basis.
文摘Recent developments in the study of ultracold Rydberg gases demand an adwanced level of experimental sophistication, in which high atomic and optical densities must be combined with excellent control of external fields and sensitive Rydberg atom detection. We describe a tailored experimental system used to produce and study Rydberg-interacting atoms excited from dense ultracold atomic gases. The experiment has been optimized for fast duty cycles using a high flux cold atom source and a three beam optical dipole trap. The latter enables tuning of the atomic density and temperature over several orders of magnitude, all the way to the Bose--Einstein condensation transition. An elec- trode structure surrounding the atoms allows for precise control over electric fields and single-particle sensitive field ionization detection of Rydberg atoms. We review two experiments which highlight the influence of strong Rydberg---Rydberg interactions on different many-body systems. First, the Rydberg blockade effect is used to pre-structure an atomic gas prior to its spontaneous evolution into an ultracold plasma. Second, hybrid states of photons and atoms called dark-state polaritons are studied. By looking at the statistical distribution of Rydberg excited atoms we reveal correlations between dark-state polaritons. These experiments will ultimately provide a deeper understanding of many-body phenomena in strongly-interacting regimes, including the study of strongly-coupled plasmas and interfaces between atoms and light at the quantum level.
基金supported by the National Natural Science Foundation of China(Grant Nos.51071018 and 51271018)
文摘In this work,we develop a new many-body potential for alpha-hafnium(α-Hf)based on the second moment approximation of tight-binding(TB-SMA)theory by introducing an additional Heaviside step function into the potential model and a new analytical scheme of density function.All the parameters of the new potential have been systematically evaluated by fitting to ground-state properties including cohesive energy,lattice constants,elastic constants,vacancy formation energy,structure stability and equation of state.By using the present model,the melting point,melt heat,thermal expansion coefficient,point defects,and low-index surface energies ofα-Hf were calculated through molecular dynamics simulations.Comparing with experiment observations from others,it is shown that these properties can be reproduced reasonably by the present model,some results being more consistent to the experimental data than those by previous suggested models.This indicates that this work is sutiable in TB-SMA potential for hexagonal close packed metals.
文摘Using the density functional method B3LYP with relativistic effective core potential (RECP) for Pu atom, the low-lying excited states (^4Σ^+, ^6Σ^+, ^8Σ^+) for three structures of PuOH molecule were optimized. The results show that the ground state is X^6Σ^+ of the linear Pu-O-H (C∞v), its corresponding equilibrium geometry and dissociation energy are RPu-O = 0.20595 nm, RO-H=0.09581 nm and -8.68 eV, respectively. At the same time, two other metastable structures [PuOH (Cs) and H-Pu-O (C∞v)] were found. The analytical potential energy function has also been derived for whole range using the many-body expansion method. This potential energy function represents the considerable topographical features of PuOH molecule in detail, which is adequately accurate in the whole potential surface and can be used for the molecular reaction dynamics research.
基金supported by Beijing Outstanding Young Scholar Programthe National Key Research and Development Program of China (2021YFA0718303, 2021YFA1400904, and 2016YFA0301501)+1 种基金the National Natural Science Foundation of China (91736208, 11974202, 61975092, 11920101004,61727819, 11934002, 11734010, and 92165203)the XPLORER Prize。
文摘Ramping a physical parameter is one of the most common experimental protocols in studying a quantum system, and ramping dynamics has been widely used in preparing a quantum state and probing physical properties. Here, we present a novel method of probing quantum many-body correlation by ramping dynamics. We ramp a Hamiltonian parameter to the same target value from different initial values and with different velocities, and we show that the first-order correction on the finite ramping velocity is universal and path-independent, revealing a novel quantum many-body correlation function of the equilibrium phases at the target values. We term this method as the non-adiabatic linear response since this is the leading order correction beyond the adiabatic limit. We demonstrate this method experimentally by studying the Bose-Hubbard model with ultracold atoms in three-dimensional optical lattices.Unlike the conventional linear response that reveals whether the quasi-particle dispersion of a quantum phase is gapped or gapless, this probe is more sensitive to whether the quasi-particle lifetime is long enough such that the quantum phase possesses a well-defined quasi-particle description. In the BoseHubbard model, this non-adiabatic linear response is significant in the quantum critical regime where well-defined quasi-particles are absent. And in contrast, this response is vanishingly small in both superfluid and Mott insulators which possess well-defined quasi-particles. Because our proposal uses the most common experimental protocol, we envision that our method can find broad applications in probing various quantum systems.
基金This work was supported by the National Program on Key Basic Research Project of China(Grant Nos.2021YFA1400900 and 2017YFA0304204)the National Natural Science Foundation of China(Grant Nos.11774067 and 11934002)+3 种基金Shanghai Municipal Science and Technology Major Project(Grant No.2019SHZDZX01)Shanghai Science Foundation(Grant No.19ZR1471500)the Open Project of Shenzhen Institute of Quantum Science and Engineering(Grant No.SIQSE202002)X.Q.acknowledges support from the National Postdoctoral Program for Innovative Talents of China under Grant No.BX20190083.
文摘Harnessing the quantum computation power of the present noisy-intermediate-size-quantum devices has received tremendous interest in the last few years. Here we study the learning power of a one-dimensional long-range randomly-coupled quantum spin chain, within the framework of reservoir computing. In time sequence learning tasks, we find the system in the quantum many-body localized (MBL) phase holds long-term memory, which can be attributed to the emergent local integrals of motion. On the other hand, MBL phase does not provide sufficient nonlinearity in learning highly-nonlinear time sequences, which we show in a parity check task. This is reversed in the quantum ergodic phase, which provides sufficient nonlinearity but compromises memory capacity. In a complex learning task of Mackey–Glass prediction that requires both sufficient memory capacity and nonlinearity, we find optimal learning performance near the MBL-to-ergodic transition. This leads to a guiding principle of quantum reservoir engineering at the edge of quantum ergodicity reaching optimal learning power for generic complex reservoir learning tasks. Our theoretical finding can be tested with near-term NISQ quantum devices.
文摘In our context,the planetary many-body problem consists of studying the motion of(n+1)-bodies under the mutual attraction of gravitation,where n planets move around a massive central body,the Sun.We establish the existence of real analytic lower dimensional elliptic invariant tori with intermediate dimension N lies between n and 3n-1 for the spatial planetary many-body problem.Based on a degenerate KolmogorovArnold-Moser(abbr.KAM)theorem proved by Bambusi et al.(2011),Berti and Biasco(2011),we manage to handle the difficulties caused by the degeneracy of this real analytic system.