Related papers: The reduced Hartree-Fock model with self-generated…
We present a cut finite element method (CutFEM) for the Laplace--Beltrami equation on a smooth closed curve $\Gamma\subset\mathbb{R}^2$ coupled to a harmonic bulk problem in $\Omega$ that requires \emph{no explicit stabilization}: no ghost…
We extend effective field theory to the case of spontaneous symmetry breaking in genuinely finite quantum systems such as small superfluid systems, molecules or atomic nuclei, and focus on deformed nuclei. In finite superfluids, symmetry…
Accurate modeling of conical intersections is crucial in nonadiabatic molecular dynamics, as these features govern processes such as radiationless transitions and photochemical reactions. Conventional electronic structure methods, including…
For a system of spinless fermions in a disordered mesoscopic ring, interactions can give rise to an enhancement of the persistent current by orders of magnitude. The increase in the current is associated with a charge reorganization of the…
While the no-core shell model is a state-of-the-art microscopic approach to low-energy nuclear structure, its intense computational requirements lead us to consider time-honored approximations such as the Hartree-Fock (HF) approximation and…
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 $1$.…
Low-energy excitations associated with the amplitude fluctuation of an order parameter in condensed matter systems can mimic the Higgs boson, an elementary particle in the standard model, and are dubbed as Higgs modes. Identifying the…
The phase diagram of the Hubbard model is studied at weak coupling in two and three spatial dimensions. It is shown that the Neel temperature and the order parameter in d=3 are smaller than the Hartree-Fock predictions by a factor of…
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…
The lowest-energy state of a macroscopic in which symmetry is spontaneously broken, is a very stable wavepacket centered around a spontaneously chosen, classical direction in symmetry space. However, for a Heisenberg ferromagnet the quantum…
This paper is concerned with the ground states of a coupled pseudo-relativistic Hartree system in $\mathbb{R} ^{3} $ with trapping potentials, where the intraspecies and the interspecies interaction are both attractive. By investigating an…
Analytical Hartree-Fock gradients with respect to the cell parameter have been implemented in the electronic structure code CRYSTAL, for the case of one and two-dimensional periodicity. As in most molecular codes, Gaussian type orbitals are…
The Hartree-Fock (HF) method, supplemented by low-order Moller-Plesset (MP2) perturbation theory, has been utilized to predict the nuclear geometry, assuming planarity, of a low-lying isomer of the free space cluster BOSi$_2$. The planar…
Starting with a bare nucleon-nucleon interaction, for the first time the full relativistic Brueckner-Hartree-Fock equations are solved for finite nuclei in a Dirac-Woods-Saxon basis. No free parameters are introduced to calculate the…
We show that, within a linear approximation of BCS theory, a weak homogeneous magnetic field lowers the critical temperature by an explicit constant times the field strength, up to higher order terms. This provides a rigorous derivation and…
When using Hartree-Fock (HF) trial wave functions in quantum Monte Carlo calculations, one faces, in case of HF instabilities, the HF symmetry dilemma in choosing between the symmetry-adapted solution of higher HF energy and symmetry-broken…
In recent years, a lot of effort has been devoted to the quest for experimental realizations of Kitaev interactions in spin systems. Recently, many materials have been synthesized which seem to realize extended Kitaev models, where Kitaev…
We benchmark angular-momentum projected{-after-variation} Hartree-Fock calculations as an approximation to full configuration-interaction results in a shell model basis. For such a simple approximation we find reasonably good agreement…
The phase diagram of the Schwinger model on the lattice with one and two degenerate flavours of Wilson fermions is investigated in the Hartree-Fock approximation. In case of a single flavour (not directly amenable to numerical simulation),…
Many-electron systems at substantial finite temperatures and densities present a major challenge to density functional theory. Very little is known about the free-energy behavior over the temperature range of interest, for example, in the…