Moments of Inertia, Magnetic Dipole Moments, and Electric Quadrupole Moments of the Lithium Isotopes

The single-particle Schrödinger fluid model is designed mainly to calculate the moments of inertia of the axially symmetric deformed nuclei by assuming that each nucleon in the nucleus is moving in a single-particle potential which is deformed with time t, through its parametric dependence on a classical shape variable α(t). Also, the Nilsson model is designed for the calculations of the single-particle energy levels, the magnetic dipole moments, and the electric quadrupole moments of axially symmetric deformed nuclei by assuming that all the nucleons are moving in the field of an anisotropic oscillator potential. On the other hand, the nuclear superfluidity model is designed for the calculations of the nuclear moments of inertia and the electric quadrupole moments of deformed nuclei which have no axes of symmetry by assuming that the nucleons are moving in a quadruple deformed potential. Furthermore, the cranked Nilsson model is designed for the calculations of the total nuclear energy and the quadrupole moments of deformed nuclei which have no axes of symmetry by modifying the Nilsson potential to include second and fourth order oscillations. Accordingly, to investigate whether the six p-shell isotopes 6Li, 7Li, 8Li, 9Li, 10Li, and 11Li have axes of symmetry or not, we applied the four mentioned models to each nucleus by calculating their moments of inertia, their magnetic dipole moments, and their electric quadrupole moments by varying the deformation parameter β and the non-axiality parameter γ in wide ranges of values for this reason. Hence for the assumption that these isotopes are deformed and have axes of symmetry, we applied the single-particle Schrödinger fluid model and the Nilsson model. On the other hand, for the assumption that these isotopes are deformed and have no axes of symmetry, we applied the cranked Nilsson model and the nuclear super fluidity model. As a result of our calculations, we can conclude that the nucleus 6Li may be assumed to be deformed and has an axis of symmetry.

Hybrid of Quantum Phases for Induced Dipole Moments

The quantum phase effects for induced electric and magnetic dipole moments are investigated. It is shown that the phase shift received by the induced electric dipole has the same form as the one induced by magnetic dipole moment, therefore the total phase is a hybrid of these two types of phase. This feature indicates that to have a decisive measurement on either one of these two phases, it is necessary to measure the velocity dependence of the observed phase.

Potential energy curves, transition dipole moments, and radiative lifetimes of KBe molecule

An ab initio calculations on the ground and low-lying excited statesX2∑＋,2^2∑＋,3^2∑＋,1^4∏,2^4∏,1^4∑＋,2^4∑＋,and 3^4∑＋of KBe molecule have been performed using multireference configuration interaction （MRCI） plus Davidsoncorrections （MRCI＋Q） approach with all electron basis set aug-cc-pCV5Z-DK for Be and def2-AQZVPP-JKFI for K.3^2∑＋,1^4∏,2^4∏,1^4∑＋,2^4∑＋and3^4∑＋states are investigated for the first time. Inner shell electron correlations are computed on the potential energy curves （PECs） calculations. The spectroscopic and molecular parameters are also predicted. In addition, The transition properties including transition dipole moment, Franck-Condon factors qv′v″, Einstein coefficients Av′v″, and the radiative lifetimesτ′for the2^2∑＋-X2∑＋,3^2∑＋-X2∑＋,and 2^4∏-1^4∏ transitions are predictedat the same time.

Electric dipole moments of lithium atoms in Rydberg states

Recently, the diverse properties of Rydberg atoms, which probably arise from its large electric dipole moment （EDM）, have been explored. In this paper, we report electric dipole moments along with Stark energies and charge densities of lithium Rydberg states in the presence of electric fields, calculated by matrix diagonalization. Huge electric dipole moments are discovered. In order to check the validity of the EDMs, we also use these electric dipole moments to calculate the Stark energies by numerical integration. The results agree with those calculated by matrix diagonalization.

Coherent excitons at different orientation arrangements of local transition dipole moments in circular light-harvesting complexes

The coherent exciton plays an important role in the photosynthetic primary process, and its functions are deeply dependent on the orientation arrangements of local transition dipole moments （TDMs）. We theoretically and systematically study the physical property of the coherent exciton at different orientation arrangements of the local TDMs in circular light-harvesting （LH） complexes. Especially, if the orientation arrangements are different, the delocalized TDMs of the coherent excitons and the energy locations of the optically active coherent excitons （OACEs） can be obviously different, and then there are more manners to capture, store and transfer light energy in and between LH complexes. Similarly, if the orientation arrangements are altered, light absorption and radiative intensities can be converted fully between the OACEs in the upper and lower coherent exciton bands, and then the blue and red shifts of the absorption and radiative bands of the pigment molecules can occur simultaneously at some orientation arrangements. If the systems are in the vicinities of the critical orientation arrangements, the weak static disorder or small thermal excitation can destroy the coherent electronic excitations, and then the coherent exciton cannot exist any more.

Dipole Moments of the Bioactive Constituents Present in Flutab Drug by Ab-Initio Calculations

Many of the technology and computational chemistry applications are used to study drugs and their biological effects. Flutab®drug contains Paracetamol, Diphenhydramine and Pseudoephedrine. Ab-initio calculations were performed at DFT/B3LYP and HF methods with three basis sets, namely, STO-3G, 3-21G, and 6-31G(d) in order to calculate the dipole moments of the three constituents of Flutab®drug. The Diphenhydramine compound was found to be the most stable constituent, with the lowest value of dipole moment.

Effect of the ratio of transition dipole moments on few-cycle pulse propagation

Propagation of a few-cycle laser pulses in a dense V-type three-level atomic medium is investigated based on full-wave Maxwell-Bloch equations by taking the near dipole-dipole （NDD） interaction into account. We find that the ratio, γ of the transition dipole moments has strong influence on the time evolution and split of the pulse： when γ≤ 1, the NDD interaction delays propagation and split of the pulse, and this phenomenon is more obvious when the value of γ is smaller; when γ =√2, the NDD interaction accelerates propagation and split of the pulse.

Magnetic dipole moments of B_((s))^((*))B_((s))^((*)) states

We systematically study the magnetic dipole moments of multiquark states.In this study,the magnetic dipole moments of possible B^(−)B^(∗−),B^(0)B^(∗−),B^(−)B^(∗0),B^(0)B^(∗0),B_(s)^(0)B^(∗−),B_(−)B_(s)^(∗0),B_(s)^(0)B^(∗0),B^(0)B_(s)^(∗0),and B_(s)^(0)B_(s)^(∗0) states are extracted using light-cone sum rules.We explore the magnetic dipole moments of these states in a molecular picture with spin-parity JP=1^(+).The magnetic dipole moments of hadrons include useful information on the distributions of internal charge and magnetization,which can be used to understand their geometrical shapes and quark-gluon organization.The results of the present study along with the spectroscopic parameters may help future theoretical and experimental research on the characteristics of doubly-bottom tetraquark states.

Non-Uniform Pion Tetrahedron Aether and Electron Tetrahedron Model

We propose that the QCD vacuum pion tetrahedron condensate density vary in space and drops to extremely low values in the Kennan, Barger and Cowie (KBC) void in analogy to earth’s atmospheric density drop with elevation from earth. We propose a formula for the gravitation acceleration based on the non-uniform pion tetrahedron condensate. Gravity may be due to the underlying microscopic attraction between quarks and antiquarks, which are part of the vacuum pion tetrahedron condensate. We propose an electron tetrahedron model, where electrons are comprised of tetraquark tetrahedrons, and . The quarks determine the negative electron charge and the or quarks determine the electron two spin states. The electron tetrahedron may perform a high frequency quark exchange reactions with the pion tetrahedron condensate by tunneling through the condensation gap creating a delocalized electron cloud with a fixed spin. The pion tetrahedron may act as a QCD glue bonding electron pairs in atoms and molecules and protons to neutrons in the nuclei. Conservation of valence quarks and antiquarks is proposed.

Three-dimensional ab initio dipole moment surfaces and stretching vibrational band intensities of the XH3 molecules

Stretching vibrational band intensities of XH3 （X=N, Sb） molecules are investigated employing three-dimensional dipole moment surfaces combined with the local mode Hamiltonian model. The dipole moment surfaces of NH3 and SbH3 are calculated with the density functional theory and at the correlated MP2 level, respectively. The calculated band intensities are in good agreement with the available experimental data. The contribution to the band intensities from the different terms in the polynomial expansion of the dipole moments of four group V hydrides （NH3, PH3, AsH3 and SbH3） are discussed. It is concluded that the breakdown of the bond dipole approximation must be considered. The intensity “borrowing” effect due to the wave function mixing among the stretching vibrational states is found to be less significant for the molecules that reach the local mode limit.

Ab initio calculation of accurate dissociation energy, potential energy curve and dipole moment function for the A^1∑＋ state ^7LiH molecule

The reasonable dissociation limit of the A^1∑＋ state ^7LiH molecule is obtained. The accurate dissociation energy and the equilibrium geometry of this state are calculated using a symmetry-adapted-cluster configuration-interaction method in complete active space for the first time, The whole potential energy curve and the dipole moment function for the A^1∑＋ state are calculated over a wide internuclear separation range from about 0.1 to 1.4 nm. The calculated equilibrium geometry and dissociation energy of this potential energy curve are of Re=0.2487 nm and De=1.064eV, respectively. The unusual negative values of the anharmonicity constant and the vibration-rotational coupling constant are of ωeXe=-4.7158cm^-1 and αe=0.08649cm^-1, respectively. The vertical excitation energy from the ground to the A^1∑＋ state is calculated and the value is of 3.613eV at 0.15875nm （the equilibrium position of the ground state）. The highly anomalous shape of this potential energy curve, which is exceptionally flat over a wide radial range around the equilibrium position, is discussed in detail. The harmonic frequency value of 502.47cm^-1 about this state is approximately estimated. Careful comparison of the theoretical determinations with those obtained by previous theories about the A^1∑＋ state dissociation energy clearly shows that the present calculations are much closer to the experiments than previous theories, thus represents an improvement.

Iterative dipole moment method for calculating dielectrophoretic forces of particle-particle electric field interactions

Dielectrophoresis （DEP） is one of the most popular techniques for bio-particle manipulation in microfluidic systems. Traditional calculation of dielectrophoretic forces of single particle based on the approximation of equivalent dipole moment （EDM） cannot be directly applied on the dense particle interactions in an electrical field. The Maxwell stress tensor （MST） method is strictly accurate in the theory for dielectrophoretic forces of particle interaction, but the cumbersome and complicated numerical computation greatly limits its practical applications. A novel iterative dipole moment （IDM） method is pre- sented in this work for calculating the dielectrophoretic forces of particle-particle inter- actions. The accuracy, convergence, and simplicity of the IDM are confirmed by a series of examples of two-particle interaction in a DC/AC electrical field. The results indicate that the IDM is able to calculate the DEP particle interaction forces in good agreement with the MST method. The IDM is a purely analytical operation and does not require complicated numerical computation for solving the differential equations of an electrical field while the particle is moving.

Correlation between intrinsic dipole moment and pyroelectric coefficient of Fe-Mg tourmaline

Single-crystal X-ray diffraction structural data of four Fe-Mg tourmalines with different Fe contents from Xinjiang, Sichuan, and Yunnan Provinces, China, were collected at room temperature and-100oC. The intrinsic dipole moments of polyhedra and the total intrinsic dipole moment of the unit cell were calculated. By comparing the intrinsic electric dipole moments of the X, Y, Z, T, and B site polyhedra, it is found that the T site polyhedron makes the greatest contribution to the total intrinsic dipole moment. The pyroelectric coefficients of four Fe-Mg tourmalines were experimentally determined, and the influence of intrinsic dipole moments on their pyroelectric properties was inves-tigated. The experimental results show that, compared with the case at room temperature, the intrinsic dipole moments change with the total Fe content at-100oC in a completely different way. With the decrease of temperature, the total intrinsic dipole moments of tourmaline de-crease. Over the same temperature interval, the pyroelectric coefficients increase with the increase in intrinsic dipole moment.

MEAN-SQUARE RADIUS OF GYRATION AND DIPOLE MOMENT OF POLY(METHYLPHENYLSILOXANE) CHAINS

The mean-square radius of gyration <S^2>,the mean-square dipole moment <D^2>,the mean-square end-to-end distance <R^2> and their temperature coefficients of unsymmetrical disubstituted poly(methylphenylsiloxane) (PMPS) chains, as a function of stereochemical structure,confomational energies and length of polymers,were studied by using an improved configurational-confomational statistical method based on the rotational-isomeric-state theory.It is found that the increase in isotacticity of P...

The effect of a permanent dipole moment on the polar molecule cavity quantum electrodynamics

A dressed-state perturbation theory beyond the rotating wave approximation （RWA） is presented to investigate the interaction between a two-level electronic transition of polar molecules and a quantized cavity field. Analytical expressions can be explicitly derived for both the ground- and excited-state-energy spectrums and wave functions of the system, where the contribution of permanent dipole moments （PDM） and the counter-rotating wave term （CRT） can be shown separately. The validity of these explicit results is discussed by comparison with the direct numerical simulation. Compared to the CRT coupling, PDM results in the coupling of more dressed states and the energy shift is proportional to the square of the normalized permanent dipole difference, and a greater Bloch-Siegert shift can be produced in the giant dipole molecule cavity QED. In addition, our method can also be extended to the solution of the two-level atom Rabi model Hamiltonian beyond the RWA.

A sensitive detection of high Rydberg atom with large dipole moment

We report a sensitive detection of high Rydberg atom with large dipole moment utilizing its deflection near a pair of parallel cylindrical copper rods which are oppositely charged. When the low-field seeking state Rydberg atoms fly across the gradient electric field formed by the pair of rods, they will be pushed away from the rods while the high-field seeking state ones will be attracted towards the rods. These atoms will form different patterns on an ion imaging system placed downwards at the end of the rods. The spatial distribution of the deflected atoms on the imaging system is also simulated, in good agreement with the experimental results, from which we can deduce the quantum state information of the excited atoms. This state resolvable Rydberg atom detection can be used for the dynamics research of the dipole-dipole interaction between atoms with large dipole moments.

Transition Dipole Moment Measurements of Ultracold Photoassociated ^(85)Rb^(133)Cs Molecules by Depletion Spectroscopy

The transition dipole moments（TDMs） of ultracold85 Rb133 Cs molecules between the lowest vibrational ground level, （X^1Σ~＋（ v= 0, J= 1）, and the two excited rovibrational levels, 2~3Π0＋（v′= 10, J′= 2） and 2~1Π1（v′= 22,J′= 2）, are measured using depletion spectroscopy. The ground-state85 Rb133 Cs molecules are formed from cold mixed component atoms via the 2~3Π0-（ v= 11, J= 0） short-range level, then detected by time-of-flight mass spectrum. A home-made external-cavity diode laser is used as the depletion laser to couple the ground level and the two excited levels. Based on the depletion spectroscopy, the corresponding TDMs are then derived to be 3.5（2）×10^（-3）eαα and 1.6（1）×10^（-2）eαα, respectively, where 0）（60 represents the atomic unit of electric dipole moment. The enhance of TDM with nearly a factor of 5 for the 21Π1（v′= 22, J′= 2） excited level means that it has stronger coupling with the ground level. It is meaningful to find more levels with much more strong coupling strength by the represented depletion spectroscopy to realize direct stimulated Raman adiabatic passage transfer from scattering atomic states to deeply molecular states.

Theoretical Study on Direction of Vibrational Transition Dipole Moment of XH Stretching Vibration in HXD

Experimental vibrational spectra of heavy light XH stretching vibrations of simple molecules have been analyzed using the local mode model.In addition,the bond dipole approach,which assumes that the transition dipole moment(TDM)of the XH stretching mode is aligned along the XH bond,has helped analyze experimental spectra.We performed theoretical calculations of the XH stretching vibrations of HOD,HND^−,HCD,HSD,HPD^−,and HSiD using local mode model and multi-dimensional normal modes.We found that consistent with previous notions,a localized 1D picture to treat the XH stretching vibration is valid even for analyzing the TDM tilt angle.In addition,while the TDM of the OH stretching fundamental transition tilted away from the OH bond in the direction away from the OD bond,that for the XH stretching fundamental of HSD,HND^−,HPD^−,HCD,and HSiD tilted away from the OH bond but toward the OD bond.This shows that bond dipole approximation may not be a good approximation for the present systems and that the heavy atom X can affect the transition dipole moment direction.The variation of the dipole moment was analyzed using the atoms-in-molecule method.

Higher-Order Squeezing for Atomic Dipole of a Three-Level Atom in the Kerr-Like Medium Cavity Fields

In this paper, evolution of the higher order squeezing for atomic dipole of three level atom in the Kerr like medium is investigated. The atom discussed has two configurations and is driven by the single mode coherent state field. Our results show that the squeezing effects are clearly influenced by nonlinear parameters, the initial atom state and the detuning.

Simulation of anyons by cold atoms with induced electric dipole moment

We show that it is possible to simulate an anyon by a trapped atom which possesses an induced electric dipole moment in the background of electric and magnetic fields in a specific configuration.The electric and magnetic fields we applied contain a magnetic and two electric fields.We find that when the atom is cooled down to the limit of the negligibly small kinetic energy,the atom behaves like an anyon because its angular momentum takes fractional values.The fractional part of the angular momentum is determined by both the magnetic and one of the electric fields.Roles electric and magnetic fields played are analyzed.