Numerical studies on the influences of gas temperature on atmospheric-pressure helium dielectric barrier discharge characteristics

A fast-rising gas temperature is due to frequent collisions of the heavy particles in an atmosphericpressure dielectric barrier discharge.In this paper,a two-dimensional fluid model is applied to investigate the influences of rising gas temperature on an atmospheric-pressure helium dielectric barrier discharge.With the increase in the gas temperature,it is found that:(1)a helium discharge can evolve from the discharge column to a homogeneous discharge;(2)the breakdown time is in advance and the gas breakdown voltage decreases;(3)the spatial distribution evolution of the electron density is similar to that of the helium atom density.The most significant discrepancy between them is that the electron densities are high at some positions where the helium atom densities are nevertheless low.Furthermore,the radial reduced electric fields are obtained under different gas temperatures.The physical reasons for the gas temperature effects are discussed.The simulation results provide a better understanding of the roles of the radial reduced electric field and the heavy particle.

Accurate calculations of the helium atom in magnetic fields

The 1^10^＋ 1^1（-1）^＋and 1^1（2）^＋ states of the helium atom in the magnetic field regime between 0 and 100 a.u. are studied using a full configuration-interaction （CI） approach. The total energies, derivatives of the total energy with respect to the magnetic field and ionisation energies are calculated with Hylleraas-like functions in spherical coordinates in low to intermediate fields and Hylleraas Caussian functions in cylindrical coordinates in intermediate to high fields, respectively. In intermediate fields, the total energies and ionisation energies are determined in terms of Hermite interpolation, based on the results obtained with the two above-mentioned basis functions. Calculations show that the current method can produce lower total energies and larger ionisation energies, and make the two ionisation energy curves obtained with the two above-mentioned basis functions join smoothly in intermediate fields. Comparisons are also made with previous works.

Exact Radial Solution of the Non-relativistic Schrdinger Equation for the Helium Atom with the Potential Harmonic Method

We proposed a simple potential harmonic(PH) scheme for calculating the non\|relativistic radial correlation energies of atomic systems. The scheme was applied to the low\|lying \%n\%\+1\%S\%(\%n\%=1,2) and \%n\%\+3\%S\%(\%n\%=2,3) states of the helium atom. The results exhibit a very stable convergence characterization in both the angular and radial directions with PH and generalized Laguerre functions(GLF) respectively, even though the method is non\|variational one. The ninth significant figure of the non\|relativistic radial energy(NRE) calculated for the ground state exactly agrees with that of the most accurate literature data from the modified configuration interaction method. The convergent NRE′s for the excited states 2\+1\%S\%, 2\+3\%S\% and 3\+3\%S\% with the similar accuracy were also obtained.

Laser-assisted XUV double ionization of helium atoms:Intensity dependence of joint angular distributions

We investigate the intensity effect of ultrashort assisting infrared laser pulse on the single-XUV-photon double ionization of helium atoms by solving full six-dimensional time-dependent Schrodinger equation with implement of finite element discrete variable representation.The studies of joint energy distributions and joint angular distributions of the two photoelectrons reveal the competition for ionized probabilities between the photoelectrons with odd parity and photoelectrons with even parity in single-XUV-photon double ionization process in the presence of weak infrared laser field,and such a competition can be modulated by changing the intensity of the weak assisting-IR laser pulses.The emission angles of the two photoelectrons can be adjusted by changing the laser parameters as well.We depict how the assisting-IR laser field enhances and/or enables the back-to-back and side-by-side emission of photoelectrons created in double ionization process.

Performance of Hyperspherical Harmonic Expansionon the Low-lying P and D States of Helium Atom

The wave functions of the n1,3p (n=2, 3, 4) and the n 1,3D (n=3, 4, 5 ) low-lying states of the helium atom are expanded into the complete sets of the symmetrically adapted basis functions from hyperspherical harmonic functions in the angle part and of generalized Laguerre functions in the radial part respectively, and are then augmented by the simplest type of Jastrow correlation factor to incorporate electron-nucleus cusp only. The excellent agreement between the present nonrelativistic eigen-energies and those from the sophisticated configuration interaction (CI) method for the examined states indicates that the hyperspherical harmonic method can also be applied to the P and the D excited states of the helium atom.

The eigenenergies for ~3S excited states of the helium atom with CFPHGLF method

The matrix elements of the correlation function between symmetric potential harmonics were first simplified into the analytical summation of the grand angular momentum. The correlation-function potential-harmonic and generalized Laguerre function method (CFPHGLF) proposed by us recently was then applied to directly solve the Schrodinger equation for n3S(n=2-5) excited states of the helium atom. With only 12 PHs, the convergent eigenenergies of 23S, 33S, 43S and 53S states were 2.17427, 2.06849, 2.03644, 2.02257 Eh, respectively. The errors only were 0.00096, 0.00020, 0.00007, 0.00005 Eh, when compared with the exact Hylleraas variational results respectively.

A significantly enhanced magnetic moment due to an electric dipole moment

We demonstrate via first-principle calculations based on the density functional theory that the magnetic moment of a helium atom under a given magnetic field has a positive correlation with the electric dipole moment when an external electric field is applied to the system.Our calculation shows that the enhancement of the magnetic moment is significant due to the reduction of the triplet-singlet splitting.We argue that this finding can be generalized to organic molecules,especially to macromolecules where the structure induced an electric dipole moment which may give rise to significantly enhanced responses to the external magnetic field.These results suggest that considerable magnetic responses prevail,particularly in bio-molecules without an inversion center.