相关论文: Analytical expressions for special cases of LS-jj …
Shell structure in the single particle spectrum of deformed harmonic oscillator potentials when a term proportional to $(\vec L)^2$ is added is analyzed for a large particle number. A scaling law which gives a dividing line between regular…
New ways to treat electron correlation in electronic structure problems are discussed in the context of many-electron theory. The present work focuses primarily on static correlation. In related work, a method for including dynamical…
The atomic-level control achievable in artificially-structured oxide superlattices provides a unique opportunity to explore interface phases of matter including high-density 2D electron gases. Electronic-structure calculations show that the…
Analytical expressions of the total number of $J$ levels for three and four fermions in a nuclear $j^n$ shell are provided. The formulas were derived using a combination of sum rules for coefficients of fractional parentage, and "unusual"…
Ionization of highly charged relativistic ions by neutral atoms and ions is considered. Numerical results of recently developed computer codes based on the relativistic Born and the equivalent-photon approximations are presented. The…
We show in this note how many electron irreducible representations of the Lorentz group L can be expressed in terms of the sums of Slater determinants and principal minors. In this way the full configuration wave function of quantum…
The relativistic nuclear recoil, higher-order interelectronic-interaction, and screened QED corrections to the transition energies in Li-like ions are evaluated. The calculation of the relativistic recoil effect is performed to all orders…
Thermodynamical properties of nuclear matter undergoing multifragmentation are studied within a simplified version of the statistical model. An exact analytical solution has been found for the grand canonical ensemble. Excluded volume…
Marcus theory is fundamental to describing electron transfer reactions and quantifying their rates, effectively representing the energy surface associated with an electron transfer from the reactant to the product ionic state via parabolas…
In this paper a library for spin--angular integration in LS-coupling for many-electron atoms is presented. The software is an implementation of a methodology based on the second quantization in coupled tensorial form, the angular momentum…
In hot plasmas, a temperature of a few tens of eV is sufficient for producing highly stripped ions where multipole transitions become important. At low density, the transitions from tightly bound inner shells lead to electric-quadrupole…
Analytic expressions for the $JV$-characteristics of three types of multi-junction configurations are derived. From these, expressions for the short circuit current, open circuit voltage and voltage at the maximum power point are found for…
A modified spin-fermion model is proposed to describe the physics of the underdoped phase of the t-J model of strongly correlated electrons
An electron density functional approach for the calculation of the nuclear multipole moments is presented. The electronic matrix elements entering the experimentally observed hyperfine electron-nucleus interaction constants in atoms are…
We presented an alternative computational method for determining the permitted LS spectral terms arising from $l^N$ electronic configurations. This method makes the direct calculation of LS terms possible. Using only basic algebra, we…
Strong-coupling expansions, to order $(t/J)^8$, are derived for the Kondo lattice model of strongly correlated electrons, in 1-, 2- and 3- dimensions at arbitrary temperature. Results are presented for the specific heat, and spin and charge…
The use of quasi-elastic electron nucleus scattering is shown to provide significant constraints on models of the proton electromagnetic form factor of off-shell nucleons. Such models can be constructed to be consistent with constraints…
The auxiliary functions provide efficient computation of integrals arising at the self-consistent field (SCF) level for molecules using Slater-type bases. This applies both in relativistic and non-relativistic electronic structure theory.…
We establish a link between quantum mechanical molecular simulations and the transfer matrix of a molecule. The transfer matrix (T-matrix) of an object provides a complete description of its electromagnetic response. Once the T-matrices of…
Advanced theoretical techniques that combine the linearized coupled-cluster method, configuration interaction method, and perturbation theory are used to calculate energy levels, ionization potentials, electron affinities, field isotope…