Related papers: Double hybrid density-functional theory using the …
We propose a way to improve energy density functionals (EDFs) in the density functional theory based on the combination of the inverse Kohn--Sham method and the density functional perturbation theory. Difference between the known EDF and…
The relativistic corrections for the Dirac-Coulomb system are derived through the method of non-relativistic expansion. By expanding the large and small components of the Dirac wave function and the energy eigenvalues in terms of the square…
In strongly correlated electron systems the constraint which prohibits the double electron occupation at local sites can be realized by either the infinite Coulomb interaction or the correlated hopping interaction described by the Hubbard…
The triple differential cross section of $^{208}\rm{Pb}(^6\rm{Li};\alpha,\rm{d})^{208}\rm{Pb}$ elastic Coulomb breakup is calculated using the semiclassical method. We fit the parameters of the Woods-Saxon potential using the experimental…
We found analytical solution for the time evolution of localized electron density in a system of two coupled single-level quantum dots (QDs) connected with continuous spectrum states in the presence of Coulomb interaction. This solution…
A two-orbital two-electron diatomic model resembling LiH is used to investigate the differences between the exact L\"owdin-Shull and approximate Hartree-Fock-Bogoliubov and Baerends-Buijse density matrix functionals in the medium- to…
We have constructed a perturbation theory to treat interactions that can include the Coulomb interaction, describing a physical problem that is often encountered in nuclear physics. The Coulomb part is not treated perturbatively; the exact…
The formalism developed in Refs.~\cite{Guo:2023ecc,Guo:2024zal,Guo:2024pvt} that relates the integrated correlation functions for a trapped system to the infinite volume scattering phase shifts through a weighted integral is further…
Some theorems on derivatives of the Coulomb density functional with respect to the coupling constant $\lambda$ are given. Consider an electron density $n_{GS}({\bf r})$ given by a ground state. A model Fermion system with the reduced…
Within the finite-field Kohn-Sham framework, static electric response properties of diatomic molecules are presented. The electronic energy, dipole moment ({\boldmath$\mu$}), static dipole polarizability ({\boldmath$\alpha$}) and…
Defect-mediated nonradiative recombination, known as Shockley-Read-Hall (SRH) recombination is reformulated. The introduced model considers Coulomb attraction between charged deep defect and the approaching free carrier, showing that this…
Guiding by the relativistic local density approximation, we explore a phenomenological formula for the coupling strength of Coulomb field to take into account the Coulomb exchange term effectively in the relativistic Hartree approximation.…
The nonequilibrium tunnelling center model of a localized electronic level coupled to a fluctuating two-state system and to two electronic reservoirs, is solved via an Anderson-Yuval-Hamann mapping onto a plasma of alternating positive and…
A classical coulombic correlation functional in one-loop (1L) and local-density-approximation (LDA) is derived for electrolyte solutions, starting from a first-principles many-body partition function. The 1L-LDA functional captures…
The interaction energy of the two-dimensional electron system in the region of fractional quantum Hall effect is considered within the Chern-Simons composite fermion approach. In the limit when Coulomb interaction is very small comparing to…
We investigate equilibrium and steady-state non-equilibrium transport properties of a spinless resonant level locally coupled to two conduction bands of width ~\Gamma via a Coulomb interaction U and a hybridization t'. In order to study the…
The contact value theorem was originally derived for Coulomb fluids of mobile charged particles in thermal equilibrium, in the presence of interfaces carrying a {\em uniform} surface charge density and in the absence of dielectric…
Linear scaling quantum chemical methods for Density Functional Theory are extended to the condensed phase at the $\Gamma$-point. For the two-electron Coulomb matrix, this is achieved with a tree-code algorithm for fast Coulomb summation [J.…
A new variational basis with well-behaved local approximation properties and multiple output is proposed for Coulomb systems. The trial function has proper behaviour at all Coulomb centres. Nonlinear asymptotic parameters are introduced…
The non-relativistic interacting electron gas in an external field of positively charged massive cores is dealt with in the scheme of second quantization. Ladder operators that change between stationary states of contiguous energy…