Related papers: Ground States of Heisenberg Spin Clusters from Pro…
In this work, we study the extended Falicov-Kimball model at half-filling within the Hartree-Fock approach (HFA) (for various crystal lattices) and compare the results obtained with the rigorous ones derived within the dynamical mean field…
The self-consistent field method utilized for solving the Hartree-Fock (HF) problem and the closely related Kohn-Sham problem, is typically thought of as one of the cheapest methods available to quantum chemists. This intuition has been…
We develop a theoretical framework to describe quasiparticle resonance states within the Hartree-Fock-Bogoliubov (HFB) theory by integrating the complex-scaled Jost function method with the Autonne-Takagi factorization. The HFB completeness…
We examine the ground state of a Heisenberg model with arbitrary spin S on a one-dimensional lattice composed of diamond-shaped units. A unit includes two types of antiferromagnetic exchange interactions which frustrate each other. The…
The Dirac-Fock (DF) model replaces the Hartree-Fock (HF) approximation in quantum chemistry when relativistic effects cannot be neglected. Since the Dirac operator is not bounded from below, the notion of ground state is problematic in this…
Finding the ground state energy of the Heisenberg Hamiltonian is an important problem in the field of condensed matter physics. In some configurations, such as the antiferromagnetic translationally-invariant case on the 2D square lattice,…
We combine the pseudofermion functional renormalization group (PFFRG) method with a self-consistent Fock-like mean-field scheme to calculate low-energy effective theories for emergent spinon excitations in spin-1/2 quantum spin liquids.…
The spherical Hartree-Fock approximation is applied to the $abinitio$ no-core shell model, with a realistic effective nucleon-nucleon interaction in order to investigate the range of its utility. Hartree-Fock results for binding energies,…
We present an investigation of the performance of the relativistic multi-reference Fock-space coupled cluster (FSCC) method for predicting molecular hyperfine structure (HFS) constants, including a thorough computational study to estimate…
The (three-dimensional) pyrochlore lattice antiferromagnet with Heisenberg spins of large spin length $S$ is a highly frustrated model with an macroscopic degeneracy of classical ground states. The zero-point energy of (harmonic order) spin…
We use path-\-integral methods to derive the ground state wave functions of a number of two-\-dimensional fermion field theories and related systems in one-\-dimensional many body physics. We derive the exact wave function for the…
A simple ``brute-force'' parallelisation procedure for the computational implementation of high-order coupled cluster method (CCM) calculations is presented here. This approach is investigated and illustrated by an application of high-order…
We study an extended model to describe the spin-lattice coupling, incorporating individual vibrations of bonds and atomic sites alongside distance-dependent exchange interactions. The proposed spin Hamiltonian can be effectively considered…
We calculate the ground state phase diagram of the homogeneous electron gas in three dimensions within the Hartree-Fock approximation and show that broken symmetry states are energetically favored at any density against the homogeneous…
The pseudo-fermion functional renormalization group is generalized to treat spin Hamiltonians with finite magnetic fields, enabling its application to arbitrary spin lattice models with linear and bilinear terms in the spin operators. We…
Spin Hamiltonians, like the Heisenberg model, are used to describe magnetic properties of exchange-coupled molecules and solids. For finite clusters, physical quantities such as heat capacities, magnetic susceptibilities or…
We construct exact ground states of the $J_1$-$J_{3b}$ classical Heisenberg model on the pyrochlore lattice in the presence of a magnetic field. They are non-coplanar multi-$\vec{Q}$ spin configurations with a large magnetic unit cell that…
Recently the molecular electronic structure theories for efficiently treating static (or strong) correlation in a black-box manner have attracted much attention. In these theories, a spin projection operator is used to recover the spin…
Ground state properties, dispersion relations and scaling behaviour of spin gap of a bond alternating spin-$\frac{1}{2}$ anisotropic Heisenberg chain have been studied where the exchange interactions on alternate bonds are ferromagnetic…
We describe how density-functional theory, well-known for its many uses in ab initio calculations of electronic structure, can be used to study the ground state of inhomogeneous model Hamiltonians. The basic ideas and concepts are discussed…