Electron–electron correlation plays an important role in the underlying dynamics in physics and chemistry.Helium is the simplest and most fundamental two-electron system.The dynamic process of helium in a strong lase...Electron–electron correlation plays an important role in the underlying dynamics in physics and chemistry.Helium is the simplest and most fundamental two-electron system.The dynamic process of helium in a strong laser field is still a challenging issue because of the large calculation cost.In this study,a graphic processing unit(GPU)open ACC based ab initio numerical simulations package He TDSE is developed to solve the full-dimensional time-dependent Schrodinger equation of helium subjected to a strong laser pulse.He TDSE uses B-spline basis sets expansion method to construct the radial part of the wavefunction,and the spherical harmonic functions is used to express for the angular part.Adams algorithm is employed for the time propagation.Our example shows that He TDSE running on an NVIDIA Kepler K20 GPU can outperform the one on an Intel E5-2640 single CPU core by a factor of 147.He TDSE code package can be obtained from the author or from the author's personal website(doi:10.13140/RG.2.2.15334.45128)directly under the GPL license,so He TDSE can be downloaded,used and modified freely.展开更多
The two-photon double ionization(TPDI) dynamics of helium by chirped attosecond pulses are theoretically studied by solving the two-electron time-dependent Schr o¨dinger equation in its full dimensions. We show...The two-photon double ionization(TPDI) dynamics of helium by chirped attosecond pulses are theoretically studied by solving the two-electron time-dependent Schr o¨dinger equation in its full dimensions. We show that both the differential and the total double ionization probability can be significantly controlled by adjusting the chirp. The dependence of the TPDI on the chirp can be quite different for different photon energies, relying on the central photon energy being in the sequential region, nonsequential region, or translation region. The physics which lead to the chirp dependence for different photon energies are addressed. Present findings are well reproduced by a model based on the second-order time-dependent perturbation theory.展开更多
We develop a numerical scheme for solving the one-dimensional(1D)time-dependent Schrödinger equation(TDSE),and use it to study the strong-field photoionization of the atomic hydrogen.The photoelectron energy spec...We develop a numerical scheme for solving the one-dimensional(1D)time-dependent Schrödinger equation(TDSE),and use it to study the strong-field photoionization of the atomic hydrogen.The photoelectron energy spectra obtained for pulses ranging from XUV to near infrared are compared in detail to the spectra calculated with our well-developed code for accurately solving the three-dimensional(3D)TDSE.For XUV pulses,our discussions cover intensities at which the ionization is in the perturbative and nonperturbative regimes.For pulses of 400 nm or longer wavelengths,we distinguish the multiphoton and tunneling regimes.Similarities and discrepancies between the 1D and 3D calculations in each regime are discussed.The observed discrepancies mainly originate from the differences in the transition matrix elements and the energy level structures created in the 1D and 3D calculations.展开更多
Abstract We develop a highly efficient scheme for numerically solving the three-dimensional time-dependent Schrödinger equation of the single-active-electron atom in the field of laser pulses by combining smooth ...Abstract We develop a highly efficient scheme for numerically solving the three-dimensional time-dependent Schrödinger equation of the single-active-electron atom in the field of laser pulses by combining smooth exterior complex scaling(SECS)absorbing method and Arnoldi propagation method.Such combination has not been reported in the literature.The proposed scheme is particularly useful in the applications involving long-time wave propagation.The SECS is a wonderful absorber,but its application results in a non-Hermitian Hamiltonian,invalidating propagators utilizing the Hermitian symmetry of the Hamiltonian.We demonstrate that the routine Arnoldi propagator can be modified to treat the non-Hermitian Hamiltonian.The efficiency of the proposed scheme is checked by tracking the time-dependent electron wave packet in the case of both weak extreme ultraviolet(XUV)and strong infrared(IR)laser pulses.Both perfect absorption and stable propagation are observed.展开更多
In this study,we successfully extracted the‘knee structure’for non-sequential double ionization(NSDI)in the helium atom.To achieve this,for the first time,we solved the time-dependent Schrödinger equation in th...In this study,we successfully extracted the‘knee structure’for non-sequential double ionization(NSDI)in the helium atom.To achieve this,for the first time,we solved the time-dependent Schrödinger equation in three dimensions for the helium atom,utilizing the shielding charge approximation.Our findings corroborate prior observations by Wang et al[Wang and Eberly,Phys.Rev.Lett.105,083001(2010)],demonstrating that NSDI occurs within a narrower time window in circular polarization compared to linear polarization.As a result,the yield of linear polarization was higher than that of circular polarization,aligning with the previously reported results.Notably,in the case of circular polarization,the time window further narrows with increasing intensity,attributed to a decrease in the time-of-flight.展开更多
We present an efficient method to solve the time dependent Schrodinger equation for modeling the dynamics of diatomic molecules irradiated by intense ultrashort laser pulse without Born-Oppenheimer approximation.By in...We present an efficient method to solve the time dependent Schrodinger equation for modeling the dynamics of diatomic molecules irradiated by intense ultrashort laser pulse without Born-Oppenheimer approximation.By introducing a variable prolate spheroidal coordinates and discrete variable representations of the Hamiltonian,we can accurately and efficiently simulate the motion of both electronic and molecular dynamics.The accuracy and convergence of this method are tested by simulating the molecular structure,photon ionization and high harmonic generation of H_(2)^(+).展开更多
基金the National Natural Science Foundation of China(Grant Nos.11904192,11604119,11627807,and 11604131)the Natural Science Basic Research Plan of Shaanxi Province of China(Grant No.2016JM1012)+2 种基金the Natural Science Foundation of the Education Committee of Shaanxi Province of China(Grant No.18JK0050)the Science Foundation of Baoji University of Arts and Sciences of China(Grant No.ZK16069)the Natural Science Foundation of Liaoning Province of China(Grant No.LQ 2020022)。
文摘Electron–electron correlation plays an important role in the underlying dynamics in physics and chemistry.Helium is the simplest and most fundamental two-electron system.The dynamic process of helium in a strong laser field is still a challenging issue because of the large calculation cost.In this study,a graphic processing unit(GPU)open ACC based ab initio numerical simulations package He TDSE is developed to solve the full-dimensional time-dependent Schrodinger equation of helium subjected to a strong laser pulse.He TDSE uses B-spline basis sets expansion method to construct the radial part of the wavefunction,and the spherical harmonic functions is used to express for the angular part.Adams algorithm is employed for the time propagation.Our example shows that He TDSE running on an NVIDIA Kepler K20 GPU can outperform the one on an Intel E5-2640 single CPU core by a factor of 147.He TDSE code package can be obtained from the author or from the author's personal website(doi:10.13140/RG.2.2.15334.45128)directly under the GPL license,so He TDSE can be downloaded,used and modified freely.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11322437 and 11574010)the National Basic Research Project of China(Grant No.2013CB922402)
文摘The two-photon double ionization(TPDI) dynamics of helium by chirped attosecond pulses are theoretically studied by solving the two-electron time-dependent Schr o¨dinger equation in its full dimensions. We show that both the differential and the total double ionization probability can be significantly controlled by adjusting the chirp. The dependence of the TPDI on the chirp can be quite different for different photon energies, relying on the central photon energy being in the sequential region, nonsequential region, or translation region. The physics which lead to the chirp dependence for different photon energies are addressed. Present findings are well reproduced by a model based on the second-order time-dependent perturbation theory.
基金Project supported by the National Natural Science Foundation of China(Gant Nos.12074265,11804233,and 11575118)the National Key Research and Development Project of China(Grant No.2017YFF0106500)+1 种基金the Natural Science Foundation of Guangdong,China(Grant Nos.2018A0303130311 and 2021A1515010082)the Shenzhen Fundamental Research Program(Grant Nos.KQJSCX20180328093801773,JCYJ20180305124540632,and JCYJ20190808121405740).
文摘We develop a numerical scheme for solving the one-dimensional(1D)time-dependent Schrödinger equation(TDSE),and use it to study the strong-field photoionization of the atomic hydrogen.The photoelectron energy spectra obtained for pulses ranging from XUV to near infrared are compared in detail to the spectra calculated with our well-developed code for accurately solving the three-dimensional(3D)TDSE.For XUV pulses,our discussions cover intensities at which the ionization is in the perturbative and nonperturbative regimes.For pulses of 400 nm or longer wavelengths,we distinguish the multiphoton and tunneling regimes.Similarities and discrepancies between the 1D and 3D calculations in each regime are discussed.The observed discrepancies mainly originate from the differences in the transition matrix elements and the energy level structures created in the 1D and 3D calculations.
基金the National Natural Science Foundation of China(Grant Nos.12074265 and 11804233).
文摘Abstract We develop a highly efficient scheme for numerically solving the three-dimensional time-dependent Schrödinger equation of the single-active-electron atom in the field of laser pulses by combining smooth exterior complex scaling(SECS)absorbing method and Arnoldi propagation method.Such combination has not been reported in the literature.The proposed scheme is particularly useful in the applications involving long-time wave propagation.The SECS is a wonderful absorber,but its application results in a non-Hermitian Hamiltonian,invalidating propagators utilizing the Hermitian symmetry of the Hamiltonian.We demonstrate that the routine Arnoldi propagator can be modified to treat the non-Hermitian Hamiltonian.The efficiency of the proposed scheme is checked by tracking the time-dependent electron wave packet in the case of both weak extreme ultraviolet(XUV)and strong infrared(IR)laser pulses.Both perfect absorption and stable propagation are observed.
基金Shahid Chamran University of Ahvaz for supporting this research under the grant number SCU.SP1401.259。
文摘In this study,we successfully extracted the‘knee structure’for non-sequential double ionization(NSDI)in the helium atom.To achieve this,for the first time,we solved the time-dependent Schrödinger equation in three dimensions for the helium atom,utilizing the shielding charge approximation.Our findings corroborate prior observations by Wang et al[Wang and Eberly,Phys.Rev.Lett.105,083001(2010)],demonstrating that NSDI occurs within a narrower time window in circular polarization compared to linear polarization.As a result,the yield of linear polarization was higher than that of circular polarization,aligning with the previously reported results.Notably,in the case of circular polarization,the time window further narrows with increasing intensity,attributed to a decrease in the time-of-flight.
基金supported by the National Natural Science Foundation of China under Grant No.11204222 and No.11104210.
文摘We present an efficient method to solve the time dependent Schrodinger equation for modeling the dynamics of diatomic molecules irradiated by intense ultrashort laser pulse without Born-Oppenheimer approximation.By introducing a variable prolate spheroidal coordinates and discrete variable representations of the Hamiltonian,we can accurately and efficiently simulate the motion of both electronic and molecular dynamics.The accuracy and convergence of this method are tested by simulating the molecular structure,photon ionization and high harmonic generation of H_(2)^(+).