Related papers: Coulomb matrix elements in multi-orbital Hubbard m…
Coulomb integrals, i.e., matrix elements of bare or screened Coulomb interaction between one-electron orbitals, are fundamental objects in many approaches developed to tackle the challenging problem of calculating the electronic structure…
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 describe a practical procedure to calculate the Coulomb matrix elements of 2D spatially separated and confined charge carriers, which are needed for detailed theoretical descriptions of important condensed matter finite systems. We…
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…
Hubbard-like Hamiltonians are widely used to describe on-site Coulomb interactions in magnetic and strongly-correlated solids, but there is much confusion in the literature about the form these Hamiltonians should take for shells of p and d…
The dependence of the energies and orbital structure of local states in the CuO monolayer on intra- and interatomic Coulomb interactions on copper and oxygen orbitals is studied. The electronic system is described within the eight-band p-d…
It is believed that strong ferromagnetic orders in some solids are generated by subtle interplay between quantum many-body effects and spin-independent Coulomb interactions between electrons. Here we describe our rigorous and constructive…
The theory of correlated electron systems is formulated in a form which allows to use as a reference point an ab initio band structure theory (AIBST). The theory is constructed in two steps. As a first step the total Hamiltonian is…
An $ab$ $initio$ investigation of the family of molecular compounds TM$_2$$X$ is conducted, where TM is either TMTSF or TMTTF and $X$ takes centrosymmetric monovalent anions. By deriving the extended Hubbard-type Hamiltonians from…
It is shown that the Coulomb many-particle Hamiltonians are always factorized. This fact can be used to obtain the closed analytical formula(s) for the bound state spectra of an arbitrary many-particle Coulomb system. For few- and…
The paper derives the representation of the two-particle T-matrix scattering elements for the Coulomb interaction with respect to special bases without expansion in terms of partial waves. The results obtained are applicable to…
The Hubbard model, which augments independent-electron band theory with a single parameter to describe electron-electron correlations, is widely regarded to be the `standard model' of condensed matter physics. The model has been remarkably…
We report on our analysis of the Coulomb singularity problem in the frame of the coupled channel scattering theory including spin-orbit interaction. We assume that the coupling between the partial wave components involves orbital angular…
The present paper concerns the derivation of phase-integral quantization conditions for the two-centre Coulomb problem under the assumption that the two Coulomb centres are fixed. With this restriction we treat the general two-centre…
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 driving terms in three-body theories of elastic and inelastic scattering of a charged particle off a bound state of two other charged particles contain the fully off-shell two-body Coulomb T-matrix describing the intermediate-state…
The program of understanding Shape Theory layer by layer topologically and geometrically -- proposed in Part I -- is now addressed for 4 points in 1-$d$. Topological shape space graphs are far more complex here, whereas metric shape spaces…
Nuclei exhibit both single-particle and collective degrees of freedom, with the latter often subdivided into vibrational and rotational motions. Experimentally identifying the relative roles of these collective modes is extremely…
Matrix mechanics is developed to describe the bound state spectra in few- and many-electron atoms, ions and molecules. Our method is based on the matrix factorization of many-electron (or many-particle) Coulomb Hamiltonians which are…
By extending the concept of Euler-angle rotations to more than three dimensions, we develop the systematics under rotations in higher-dimensional space for a novel set of hyperspherical harmonics. Applying this formalism, we determine all…