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

{Full three dimensional static and dynamic mean field calculations using collocation basis splines with a Skyrme type Hamiltonian are described. This program is developed to address the difficult theoretical challenges offered by exotic…

We present a new hybrid method to solve the relativistic Hartree-Fock-Roothan equations where the one- and two-electron radial integrals are evaluated numerically by defining the basis functions on a grid. This procedure reduces the…

This article proposes a unified method to estimation of group action by using the inverse Fourier transform of the input state. The method provides optimal estimation for commutative and non-commutative group with/without energy constraint.…

The configuration interaction relativistic Hartree-Fock (CI-RHF) model is developed in this work. Compared to the conventional configuration interaction shell model (CISM), the CI-RHF model can be applied to study the structural properties…

Hartree--Fock theory is one of the most ancient methods of computational chemistry, but up to the present day quantum chemical calculations on Hartree--Fock level or with hybrid density functional theory can be excessively time consuming.…

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…

The non-relativistic approximation of the quark-meson-coupling model has been discussed and compared with the Skyrme-Hartree-Fock model which includes spin exchanges. Calculations show that the spin-exchange interaction has important effect…

We numerically study the one-dimensional long-range Transverse Field Ising Model (TFIM) in the antiferromagnetic (AFM) regime at zero temperature using Generalized Hartree-Fock (GHF) theory. The spin-spin interaction extends to all spins in…

Hamiltonian and Schrodinger evolution equations on finite-dimensional projective space are analyzed in detail. Hartree-Fock (HF) manifold is introduced as a submanifold of many electron projective space of states. Evolution equations, exact…

(Screened) hybrid functionals are being used more and more for solid-state calculations. Usually the fraction alpha of Hartree-Fock exchange is kept fixed during the calculation, however there is no single (universal) value for alpha which…

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…

We present an alternative scheme for calculating the unrestricted Hartree-Fock equation. The scheme is based on the variational method utilizing the sophisticated basis functions that include no adjustable parameters. The validity and…

Isotope dependences of charge radii, i.e., isotope shifts, calculated by the Skyrme Hartree-Fock, the relativistic mean-field, and the relativistic Hartree-Fock calculations are compared against the experimental data of magic and semimagic…

We present a symmetry projection technique for enforcing rotational and parity symmetries in nuclear-electronic Hartree-Fock wave functions, which treat electrons and nuclei on equal footing. The molecular Hamiltonian obeys rotational and…

We analyzed the Hartree-Fock approximation for an electron system. The interaction between particles is modeled by a non-Coulombian potential. We analyzed both the three-dimensional and two-dimensional systems. We obtained accurate…

Moir\'e superlattices host a rich variety of correlated topological states, including interaction-driven integer and fractional Chern insulators. A common approach to study interacting ground states at integer fillings is the Hartree-Fock…

For an infinite system of nucleons interacting through a central spin-isospin schematic force we discuss how the Hartree-Fock theory at finite temperature T yields back, in the T=0 limit, the standard zero-temperature Feynman theory when…

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…

A mapping technique is used to derive in the context of constituent quark models effective Hamiltonians that involve explicit hadron degrees of freedom. The technique is based on the ideas of mapping between physical and ideal Fock spaces…

We study $N$ interacting massless Dirac fermions confined in a two-dimensional quantum dot. Physical realizations of this problem include a graphene monolayer and the surface state of a strong topological insulator. We consider both a…