相关论文: Relativistic and electron-correlation effects in s…
The dipole moment is a crucial molecular property linked to a molecular system's bond polarity and overall electronic structure. To that end, the electronic dipole moment, which results from the electron density of a system, is often used…
We evaluate the polarizabilities of the 5p_{1/2}, 6s, 6p_{1/2}, and 6p_{3/2} states of In using two different high-precision relativistic methods: linearized coupled-cluster approach where single, double and partial triple excitations of…
Most nonrelativistic electron correlation methods can be adapted to account for relativistic effects, as long as the relativistic molecular spinor integrals are available, from either a four-, two-, or one-component mean-field calculation.…
We report our successful implementation of the full fledged relativistic equation of motion coupled cluster (EOMCC) method. This method is employed to compute the principal ionization potentials (IPs) of closed-shell rare gas atoms, He-like…
The ${\cal O}(\alpha_s^2)$ coefficient of the energy-energy correlation function (EEC) has been calculated by four groups with differing results. This discrepancy has lead to some confusion over how to measure the strong coupling constant…
The effective electric field experienced by the unpaired electron in the ground state of PbF, which is a potential candidate in the search of electron electric dipole moment due to some special characteristics, is calculated using Z-vector…
We have investigated energies and spectroscopic properties such as lifetimes, $g_J$ factors, and hyperfine structure constants of the neutral atoms P through Mc belonging to Group-15, singly ionized atoms S$^+$ through Lv$^+$ of Group-16…
Electrostatic interactions play an important role in numerous self-assembly phenomena, including colloidal aggregation. Although colloids typically have a dielectric constant that differs from the surrounding solvent, the effective…
Relativistic effects in the non-resonant two-photon K-shell ionization of neutral atoms are studied theoretically within the framework of second-order perturbation theory. The non-relativistic results are compared with the relativistic…
The hyperfine interaction constants of the 2p4(3P)3p 2Do_{3/2,5/2}, 4Do_{1/2-7/2} and 4Po_{1/2-5/2} levels in neutral fluorine are investigated theoretically. Large-scale calculations are carried out using the multiconfiguration…
I consider the so-called nuclear polarization correction to the 1S-levels in light to intermediate muonic atoms. An easy to use recipe to compute it is given. The calculation includes the effect of the nucleon polarization, i.e. the…
Electromagnetic dipole polarizabilities are fundamental properties of a hadron that represent its resistance to deformation under external fields. For a charged hadron, the presence of acceleration and Landau levels complicates the…
Motivated by recent interest in their applications, we report a systematic study of Cs atomic properties calculated by a high-precision relativistic all-order method. Excitation energies, reduced matrix elements, transition rates, and…
We discuss the polarization dynamics during solid effect dynamic nuclear polarization (DNP) in a central spin model that consists of an electron surrounded by many nuclei. To this end we use a recently developed formalism and validate first…
This srudy investigates the influence of relativistic effects on some properties of the halogen group and gold atoms, including their ions. The analysis covers radii, orbital's energy, first and second ionization energies, electron…
We report the results of our calculations of the atomic electric dipole moments of cesium and thallium arising from the electron-nucleus scalar-pseudoscalar interaction. The calculations are based on the all order relativistic…
We reconsider the Dirac-Foldy contribution $\mu^2/m$ to the neutron electric polarizability. Using a Dirac equation approach to neutron-nucleus scattering, we review the definitions of Compton continuum ($\bar{\alpha}$), classical static…
We reanalyze the problem of radiative polarization of electrons brought into collision with a circularly polarized strong plane wave. We present an independent analytical verification of formulae for the cross section given by D.\,Yu.…
The electronic and vibrational contributions to the static dipole polarizability of C70 fullerene are determined using the finite-field method within the density functional formalism. Large polarized Gaussian basis sets augmented with…
The Dirac equation is extended for a relativistic electron in an orthorhombically-anisotropic conduction band. Its covariance is established with general proper and improper Lorentz transformations. In the non-relativistic limit, the…