Related papers: The reduced Hartree-Fock model for short-range qua…
We consider Hamiltonians of models describing non-relativistic quantum mechanical matter coupled to a relativistic field of bosons. If the free Hamiltonian has an eigenvalue, we show that this eigenvalue persists also for nonzero coupling.…
We consider a system made up of N electrons interacting with a neutralizing positive background within a cubic box of volume V. After dividing the box into N (or N/2) cubic cells for the polarized (unpolarized) case, we average the creation…
The performance of computational methods for many-body physics and chemistry is strongly dependent on the choice of basis used to cast the problem; hence, the search for better bases and similarity transformations is important for progress…
We study a one-dimensional quantum system with an arbitrary number of hard-core particles on the lattice, which are subject to a deterministic attractive interaction as well as a random potential. Our choice of interaction is suggested by…
We study the Anderson-Hubbard model in the Hartree-Fock approximation and the exact diagonalization under the coexistence of short-range interaction and diagonal disorder. We show that there exist unconventional soft gaps, where the…
The asymptotic behaviour of the Hartree equation is studied near translation-invariant steady states. For short-range interaction kernels satisfying a uniform Penrose stability condition, including the screened Coulomb interaction,…
We present a fully numerical framework for the optimization of molecule-specific quantum chemical basis functions within the quantics tensor train format using a finite-difference scheme. The optimization is driven by solving the…
We study in this paper the effect of weak, short-ranged interaction on disordered metals. Through analysing the interaction matrix elements between different eigenstates of the non-interacting and corresponding Hartree-Fock single-particle…
Nuclei close to the neutron drip line are described employing an interaction model which is based on the low-momentum interaction $V_{lowk}$. This effective two-body interaction which is determined to reproduce the nucleon-nucleon (NN)…
We calculate the ground state phase diagram of the homogeneous electron gas in two dimensions within the Hartree-Fock approximation. At high density, we find stable solutions, where the electronic charge and spin density form an…
The ground states of the two-dimensional repulsive Hubbard model are studied within the unrestricted Hartree-Fock (UHF) theory. Magnetic and charge properties are determined by systematic, large-scale, exact numerical calculations, and…
We test a set of multiconfigurational wavefunction approaches for calculating the ground state electron population for a two-site Anderson model representing a molecule on a metal surface. In particular, we compare (i) a Hartree Fock like…
We examine a recently proposed nucleon-nucleon interaction, claimed by its authors both realistic and leading to a standing wave instability in symmetric nuclear matter. Contrary to these claims, we find that this interaction leads to a…
We present a density matrix approach for computing global solutions of Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems. Equality of the upper- and…
With the aim of future applications in quantum mechanical embedding in extended systems such as crystals, we suggest a simple and computationally efficient method which enables construction of a set of nonorthogonal highly localized…
A microscopic quantum ideal rotor-model Hamiltonian (distinct from that of Bohr's rotational model) is derived for a rotation about a single axis by applying a dynamic rotation operator to the deformed nuclear ground-state wavefunction. It…
We present a new perturbation theory for quantum mechanical energy eigenstates when the potential equals the sum of two localized, but not necessarily weak potentials $V_{1}(\vec{r})$ and $V_{2}(\vec{r})$, with the distance $L$ between the…
Halo phenomenon in deformed nuclei is studied by using a fully self-consistent deformed relativistic Hartree-Bogoliubov model in a spherical Woods-Saxon basis with the proper asymptotic behavior at large distance from the nuclear center.…
This paper reports an implementation of Hartree-Fock linear response with complex orbitals for computing electronic spectra of molecules in a strong external magnetic fields. The implementation is completely general, allowing for…
As a contribution to the study of Hartree-Fock theory we prove rigorously that the Hartree-Fock approximation to the ground state of the d-dimensional Hubbard model leads to saturated ferromagnetism when the particle density (more…