相关论文: A method of implementing Hartree-Fock calculations…

In this paper, we consider the Dirac-Coulomb equation for many-particles, to describe the interaction between electrons in the system having many electrons. The four-component wave function will expanding into a finite basis-set, using…

We consider a refinement of the usual Hartree-Fock method applied to the 2D Hubbard model, in Nambu spinor formulation. The new element is the addition of a "condensate inducing" term proportional to a variational parameter h to the…

We report a three-dimensional numerical implementation of multiconfiguration time-dependent Hartree-Fock (MCTDHF) based on a multi-resolution Cartesian grid, with no need to assume any symmetry of molecular structure. We successfully…

Spin-projected Hartree-Fock is introduced as a particle-hole excitation ansatz over a symmetry-adapted reference determinant. Remarkably, this expansion has an analytic expression that we were able to decipher. While the form of the…

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…

A simple approximation within the framework of the hybrid methods for the calculation of the electronic structure of solids is presented. By considering only the diagonal elements of the perturbation operator (Hartree-Fock exchange minus…

We present an ideal system of interacting fermions where the solutions of the many-body Schroedinger equation can be obtained without making approximations. These exact solutions are used to test the validity of two many-body effective…

We investigate giant resonances of spherical nuclei on the basis of the Argonne V18 potential after unitary transformation within the Similarity Renormalization Group or the Unitary Correlation Operator Method supplemented by a…

Coupled cluster calculations are traditionally performed over Hartree-Fock reference orbitals (HF-CC methodology). However, it has been repeatedly argued in the literature that the use of a Kohn-Sham reference (KS-CC methodology) might…

Systematic calculations of ground-state spin and parity of odd-mass nuclei have been performed within the Hartree--Fock--BCS (HFBCS) approach and the Finite-Range Droplet Model for nuclei for which experimental data are available. The…

We introduce a new numerical method for solving time-harmonic acoustic scattering problems. The main focus is on plane waves scattered by smoothly varying material inhomogeneities. The proposed method works for any frequency $\omega$, but…

We study the variational solution of generic interacting fermionic lattice systems using fermionic Gaussian states and show that the process of "gaussification", leading to a nonlinear closed equation of motion for the covariance matrix, is…

We present here a review of the fundamental topics of Hartree-Fock theory in Quantum Chemistry. From the molecular Hamiltonian, using and discussing the Born-Oppenheimer approximation, we arrive to the Hartree and Hartree-Fock equations for…

Superdeformed configurations in 32S, and in neighboring nuclei 33S, 31S, 33Cl, and 31P, are determined within the Hartree-Fock approach with the Skyrme interaction. Energies, angular momenta, quadrupole moments, particle-emission Q-values,…

The inverse scattering theory for many-body systems in quantum mechanics is an important and difficult issue not only in physics---atomic physics, molecular physics and nuclear physics---but also mathematics. The major purpose in this paper…

We study the dynamics of a Fermi gas with a Coulomb interaction potential, and show that, in a mean-field limiting regime, the dynamics is described by the Hartree-Fock equation. This extends previous work of Bardos et al. to the case of…

Recently, we developed a mean-field-type framework which treats the correlation induced by the tensor force. To exploit the tensor correlation we introduce single-particle states with the parity and charge mixing. To make a total wave…

The Hartree-Fock-Bogoliubov equation for the ground states of even-even atomic nuclei is solved using the canonical representation in the coordinate space for zero range interactions like the Skyrme force. The gradient method is improved…

Two different approximation schemes for the self-consistent solution of the relativistic Brueckner-Hartree-Fock equation for finite nuclei are discussed using realistic One-Boson-Exchange potentials. In a first scheme, the effects of…

The high cost associated with the evaluation of Hartree-Fock exchange (HFX) makes hybrid functionals computationally challenging for large systems. In this work, we present an efficient way to accelerate HFX calculations with numerical…