Related papers: Partitioning of the Electron Correlation Energy
An explicitly orbital-dependent correlation energy functional is proposed, which is to be used in combination with the orbital-dependent exchange energy functional in energy-band calculations. It bears a close resemblance to the…
We present a formal derivation of the many-body perturbation theory for a system of electrons and bosons subject to a nonlinear electron-boson coupling. The interaction is treated at an arbitrary high order of bosons scattered. The…
The compressibility of a two-dimensional electron system with spin in a spatially correlated random potential and a quantizing magnetic field is investigated. Electron-electron interaction is treated with the Hartree-Fock method. Numerical…
Accurate treatment of the electronic correlation in inhomogeneous electronic systems, combined with the ability to capture the correlation energy of the homogeneous electron gas, allows to reach high predictive power in the application of…
What correlations are present in the ground state of a many-body Hamiltonian? We study the relationship between ground-state correlations, especially entanglement, and the energy gap between the ground and first excited states. We prove…
Electron wave function entanglement and spin reconfiguration as source of electron correlation are investigated. Properties of correlation function are shown to have the best concordance with experimental data under supposition that…
We address the issue of determining an effective two-body interaction for mean-field calculations of energies of many-body systems. We show that the effective interaction is proportional to the phase shift, and demonstrate this result in…
We consider the problem of two interacting particles on a sphere. The potential of the interaction depends on the distance between the particles. The case of Newtonian-type potentials is studied in most detail. We reduce this system to a…
A simple one dimensional model is introduced describing a two particle "atom" approaching a point at which the interaction between the particles is lost. The wave function is obtained analytically and analyzed to display the entangled…
We present a novel theory and implementation for computing coupled electronic and quantal nuclear subsystems on a single potential energy surface, moving beyond the standard Born-Oppenheimer (BO) separation of nuclei and electrons. We…
We consider a system of $N\gg 1$ interacting fermionic particles in three dimensions, confined in a periodic box of volume $1$, in the mean-field scaling. We assume that the interaction potential is bounded and small enough. We prove upper…
We present a method which computes many-electron energies and eigenfunctions by a full configuration interaction which uses a basis of atomistic tight-binding wave functions. This approach captures electron correlation as well as atomistic…
In the present communication the Bayesian conditional probability approach is applied to the wave function of a many-electron system that results in appearance of a quantum vector potential in the DFT Schrodinger equation due to electron…
The energy levels of two interacting electrons in a 2D quantum dot confined by a finite Gaussian potential and subjected to a uniform magnetic field perpendicular to the plane of the dot are studied. Analytic results are obtained for the…
The physical pictures of the electron pairing structure and pairing mechanisms in superconductors are reviewed. An initial idea for a new physical picture of the origin and nature of the pairing is proposed. The idea is based on the…
The many-body dynamics of interacting electrons in condensed matter and quantum chemistry is often studied at the quasiparticle level, where the perturbative diagrammatic series is partially resummed. Based on Hedin's equations for…
We propose to quantify the "correlation" inherent in a many-electron (or many-fermion) wavefunction by comparing it to the unique uncorrelated state that has the same single-particle density operator as it does.
In moderately-coupled plasmas, a significant fraction of the internal energy resides in electric fields. As these plasmas are heated or compressed, the shifting partition of energy between particles and fields leads to surprising effects,…
Entanglement between two electrons belonging to an auto-ionization system and a neighbor two-level atom produced by the dipole-dipole interaction is studied. The entanglement is quantified using the quadratic negativity of a bipartite…
We theoretically study the effect of electron-electron interactions in one-dimensional partially mixed helical states. These helical states can be realized at the edges of two-dimensional topological insulators with partially broken…