相关论文: AMD + HF model and its application to Be isotopes

The density of states of a Bose-condensed gas confined in a harmonic trap is investigated. The predictions of Bogoliubov theory are compared with the ones of Hartree-Fock theory and of the hydrodynamic model. We show that the Hartree-Fock…

We present a multigrid scheme for the solution of finite-element Hartree-Fock equations for diatomic molecules. It is shown to be fast and accurate, the time effort depending linearly on the number of variables. Results are given for the…

Theoretical approaches to the photoionization of few-electron atoms are discussed. These include nonequilibrium Greens functions and wave function based approaches. In particular, the Multiconfiguration Time-Dependent Hartree-Fock method is…

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 report on a novel ab initio approach for nuclear few- and many-body systems with strangeness. Recently, we developed a relevant no-core shell model technique which we successfully applied in first calculations of lightest $\Lambda$…

We present the results of calculations of outer shell non-dipole angular anisotropy parameters for semi-filled shell atoms in the Hartree-Fock (HF) one-electron approximation and with account of inter-electron correlations in the frame of…

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…

Automatic differentiation has become an important tool for optimization problems in computational science, and it has been applied to the Hartree-Fock method. Although the reverse-mode automatic differentiation is more efficient than the…

The Harper map is one of the simplest chaotic systems exhibiting reconnection of invariant manifolds. The method of asymptotics beyond all orders (ABAO) is used to construct unstable/stable manifolds of the Harper map. By enlarging the…

In this contribution, I will discuss two topics related to the clustering of atomic nuclei. The first is dual character of the ground state. Recently, it was pointed out that the ground states of atomic nuclei have dual character of shell…

This is extended version of a previously submitted paper, in which special solutions of the Hartree-Fock (HF) problem for Coulomb interacting electrons, being described by a simple model of the Cu-O planes in La2CuO4, are presented. One of…

Recent work on approximating ground states of Heisenberg spin clusters by projected Hartree-Fock theory (PHF) is extended to a cluster-based ansatz (cPHF). Whereas PHF variationally optimizes a site-spin product state for the restoration of…

We trap cold, ground-state, argon atoms in a deep optical dipole trap produced by a build-up cavity. The atoms, which are a general source for the sympathetic cooling of molecules, are loaded in the trap by quenching them from a cloud of…

A generalized two-center cluster model (GTCM), including various partitions of the valence nucleons around two alpha-cores, is proposed for studies on the exotic cluster structures of Be isotopes. This model is applied to the 10Be = alpha +…

We study an extension of the 2D Fermi--Hubbard model, which was recently introduced in [Das et al., Phys. Rev. Lett. 132, 263402 (2024)] and shown to describe altermagnetism that can be studied in cold atom systems. Using an updated…

The Hartree-Fock-Bogolyubov (HFB) problem for the cutoff local energy-density functional is solved numerically by using the Gor'kov formalism with an exact treatment of the particle continuum. The contributions from the resonant and "gas"…

In quantum chemistry, obtaining a system's mean-field solution and incorporating electron correlation in a post Hartree-Fock (HF) manner comprise one of the standard protocols for ground-state calculations. In principle, this scheme can…

Further development of a previously introduced method for numerically simulating magnetic spin waves is presented. Together with significant improvements in speed, the method now allows one to calculate the energy absorbed by the various…

Despite significant work on resource estimation for quantum simulation of electronic systems, the challenge of preparing states with sufficient ground state support has so far been largely neglected. In this work we investigate this issue…

We study the effect of electron-electron interaction on the charge and spin structures at the edge of integer quantum Hall liquids, under three different kinds of confining potentials. Our exact diagonalization calculation for small systems…