相关论文: Parametrization of the Coulomb interaction matrix …
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters…
Using a complete basis set we have obtained an analytic expression for the matrix elements of the Coulomb interaction. These matrix elements are written in a closed form. We have used the basis set of the three-dimensional isotropic quantum…
The determination of the effective Coulomb interactions to be used in low-energy Hamiltonians for materials with strong electronic correlations remains one of the bottlenecks for parameter-free electronic structure calculations. We propose…
The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) is generalized to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules.…
Polarizable particle systems, including charged colloids, polarizable ions, biomolecular assemblies, and soft nanomaterials, can exhibit contact electrostatic interactions that depart strongly from Coulomb behavior when dielectric mismatch…
We present a general method for determining screened Coulomb parameters in molecular assemblies, in particular organic molecular crystals. This allows us to calculate the interaction parameters used in a generalized Hubbard model…
Deviations from the uniform oscillator spacing, related to the shape of the confining potential, have a strong influence on few-electron states in quantum dots when Coulomb effects are included. Distinct signatures are found for level…
The $d^2d'$ configuration is analysed in group-theoretical terms. Starting from the table given by Condon and Odabasi (1980) for the configuration $d^2d'$, we determine a set of convenient group-theoretical basis states, and rewrite the…
We present a consistent theoretical description of few-particle effects in the optical spectra of semiconductor quantum dots, based on a direct-diagonalization approach. We show that, because of the strong Coulomb interaction among…
We study the influence of electron-electron interactions on the electronic properties of disordered materials. In particular, we consider the insulating side of a metal-insulator transition where screening breaks down and the…
Large ensembles of points with Coulomb interactions arise in various settings of condensed matter physics, classical and quantum mechanics, statistical mechanics, random matrices and even approximation theory, and give rise to a variety of…
A system of harmonic oscillators coupled via nonlinear interaction is a fundamental model in many branches of physics, from biophysics to electronics and condensed matter physics. In quantum optics, weak nonlinear interaction between light…
We obtain a microscopic description of the interaction between electron spins in bulk semiconductors and in pairs of semiconductor quantum dots. Treating the k.p band mixing and the Coulomb interaction on the same footing, we obtain in the…
The basic concepts of orbital entanglement and its application to chemistry are briefly reviewed. The calculation of orbital entanglement measures from correlated wavefunctions is discussed in terms of reduced $n$-particle density matrices.…
We present analytic expressions of the Coulomb interaction between a spherical and a deformed nuclei which are valid for all separation distance. We demonstrate their significant deviations from commonly used formulae in the region inside…
Nuclear and Coulomb breakup of halo nuclei have been treated often as incoherent processes and structure information have been extracted from their study. The aim of this paper is to clarify whether interference effects and Coulomb-nuclear…
Relativistic correction to the Coulomb interaction is considered for strongly correlated electron orbitals. The atomic representation of the Coulomb-Breit interaction and its physical origin are clarified, to generalize a concept of the…
The non-linear response of a beam splitter to the coincident arrival of interacting particles enables numerous applications in quantum engineering and metrology yet poses considerable challenge to achieve focused interactions on the…
Multipole representation is proposed for the anisotropic Coulomb interactions in solids. Any local interactions can be expressed as the product of two multipole operators, and the interaction parameters are systematically classified based…