Related papers: Electron-hole generations: A numerical approach to…
Simplified Hartree-Fock computations are carried out on the atoms He through Ne, using orthonormalized basis functions for the 1s, 2s and 2p orbitals dependent on three parameters. Using Mathematica with the new Apple M1 chip, computations…
We explore how interactions can facilitate classical like dynamics in models with sequentially activated hopping. Specifically, we add local and short range interaction terms to the Hamiltonian, and ask for conditions ensuring the evolution…
We introduce a generic and accessible implementation of an exact diagonalization method for studying few-fermion models. Our aim is to provide a testbed for the newcomers to the field as well as a stepping stone for trying out novel…
Mean-field methods such as Hartree-Fock (HF) or Hartree-Fock-Bogoliubov (HFB) constitute the building blocks upon which more elaborate many-body theories are based on. The HF and HFB wavefunctions are built out of independent…
Recently many body localized systems have been treated as a hopping problem on a Fock space lattice with correlated disorder, where the many-body eigenstates exhibit multi-fractal character. The many-body propagator in Fock space has been…
Fusion cross-sections are computed for the $^{40}$Ca$+^{40}$Ca system over a wide energy range with two microscopic approaches where the only phenomenological input is the Skyrme energy density functional. The first method is based on the…
Using the fractional moment method it is shown that, within the Hartree-Fock approximation for the Disordered Hubbard Hamiltonian, weakly interacting Fermions at positive temperature exhibit localization, suitably defined as exponential…
We propose a framework to learn the time-dependent Hartree-Fock (TDHF) inter-electronic potential of a molecule from its electron density dynamics. Though the entire TDHF Hamiltonian, including the inter-electronic potential, can be…
We study systems of few two-component fermions interacting via short-range interactions within a harmonic-oscillator trap. The dominant interactions, which are two-body, are organized according to the number of derivatives and defined in a…
The term "particle-hole symmetry" is beset with conflicting meanings in contemporary physics. Conceived and written from a condensed-matter standpoint, the present paper aims to clarify and sharpen the terminology. In that vein, we propose…
We report on a study of the charged-skyrmion or spin-texture excitations which occur in quantum Hall ferromagnets near odd Landau level filling factors. Particle-hole symmetry is used to relate the spin-quantum numbers of charged particle…
This study proposes an approach toward the first principles electronic structure calculation with the aid of symbolic-numeric solving. The symbolic computation enables us to express the Hartree-Fock-Roothaan equation and the molecular…
Symmetric Hilbert spaces such as the bosonic and the fermionic Fock spaces over some `one particle space' $\K$ are formed by certain symmetrization procedures performed on the full Fock space. We investigate alternative ways of…
In electronic structure theory, restricted single-reference coupled cluster (CC) captures weak correlation but fails catastrophically under strong correlation. Spin-projected unrestricted Hartree-Fock (SUHF), on the other hand, misses weak…
A Hartree--Fock analysis of the ground-state electronic structure of the finite spherical jellium model is carried out for systems containing up to $520$ electrons in a positive background field with densities ranging from $10^{-3}$ to $1$.…
We derive an exact single-body decomposition of the time-dependent Schroedinger equation for N pairwise-interacting fermions. Each fermion obeys a stochastic time-dependent norm-preserving wave equation. As a first test of the method we…
This article is an introduction to a new approach to first principles electronic structure calculation. The starting point is the Hartree-Fock-Roothaan equation, in which molecular integrals are approximated by polynomials by way of Taylor…
We introduce the first multiorbital effective tight-binding model to describe the effect of electron-electron interactions in this system. Upon fixing all the effective hopping parameters in the normal state against an ab initio band…
The particle-hole symmetry (equivalence) of the full shell-model Hilbert space is straightforward and routinely used in practical calculations. In this work we show that this symmetry is preserved in the subspace truncated at a certain…
We investigate High-Harmonic Generation (HHG) in the Su-Schrieffer-Heeger (SSH) chain with electron-phonon coupling modeled via the Holstein interaction. The system dynamics are simulated using the tight-binding approximation, with local…