Related papers: The reduced Hartree-Fock model with self-generated…
We study the decay of the interatomic force constants (equivalently, the smoothness properties of the dynamical matrix) in perfect crystals both at finite electronic temperature, and for insulators at zero temperature, within the reduced…
In this paper, we study the relationship between the Dirac--Fock model and the electron-positron Hartree--Fock model. We justify the Dirac--Fock model as a variational approximation of QED when the vacuum polarization is neglected and when…
This works extends the recent study on the dielectric permittivity of crystals within the Hartree model [E. Cances and M. Lewin, Arch. Rational Mech. Anal., 197 (2010) 139--177] to the time-dependent setting. In particular, we prove the…
We study the spectra of the molecular orbital Hessian (stability matrix) and random-phase approximation Hamiltonian of broken-symmetry Hartree-Fock solutions, focusing on zero eigenvalue modes. After all negative eigenvalues are removed…
Few-electron systems confined in two-dimensional parabolic quantum dots at high magnetic fields are studied by the Hartree-Fock (HF) and exact diagonalization methods. A generalized multicenter Gaussian basis is proposed in the HF method. A…
Using the self-consistent Hartree-Fock approximation for spinless electrons at zero temperature, we study the persistent current of the interacting electron gas in a one-dimensional continuous ring containing a single $\delta$ barrier. We…
A translationally invariant formulation of the Hartree-Fock (HF) $\Gamma$-point approximation is presented. This formulation is achieved through introduction of the Minimum Image Convention (MIC) at the level of primitive two-electron…
The electronic structure of the ground and some excited states of neutral atoms with the nuclear charge numbers $1\leq Z \leq 10$ and their single positive ions are investigated by means of our 2D mesh Hartree-Fock method for strong…
An implementation of the Hartree-Fock (HF) method capable of robust convergence for well-behaved arbitrary central potentials is presented. The Hartree-Fock equations are converted to a generalized eigenvalue problem by employing a B-spline…
A model recently introduced for diluted magnetic semiconductors by Berciu and Bhatt (PRL 87, 107203 (2001)) is studied with a Monte Carlo technique, and the results are compared to Hartree-Fock calculations. For doping rates close to the…
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 consider the ground state of the homogeneous electron gas and we prove that a Hartree-Fock solution, motivated by previous simulations, has lower energy than the Fermi gas in the large density limit. This solution is a metallic phase :…
Hartree-Fock approximation suffers from two inabilities including i) the divergence of electron Fermi velocity , and ii) existence of bandwidth not confirmed experimentally. Here, we study the effects of minimal length on the ground state…
We consider a molecule described by the Hartree-Fock model without the exchange term. We prove that nuclei of total charge $Z$ can bind at most $Z+C$ electrons, where $C$ is a constant independent of $Z$.
A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…
In this paper a method to obtain a critical point of the discretized Hartree-Fock functional from an approximate critical point is given. The method is based on Newton's method on the Grassmann manifold. We apply Newton's method regarding…
The stable existence of a six-$\alpha$ linear structure in highly excited states of $^{24}$Mg is studied based on a systematic Cranked Hartree-Fock calculation with various Skyrme-type interactions. Its stability is examined by allowing the…
The purpose of this article is to extend the work by Anantharaman and Canc\`es [1], and prove the existence of minimizers for the spin-polarized Kohn-Sham model in the presence of a magnetic field within the local spin density…
We consider a two-dimensional gas of interacting fermions in presence of an external constant magnetic field: the system is extended and homogeneous, and thus assumed to be invariant under magnetic translations. Working within the…
We use the Hartree-Fock method to study an interacting one-dimensional electron system on a finite wire, partially depleted at the center by a smooth potential barrier. A uniform one-Tesla Zeeman field is applied throughout the system. We…