相关论文: The maximal excess charge in reduced Hartree-Fock …

The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…

We prove a HVZ theorem for a general class of no-pair Hamiltonians describing an atom or positively charged ion with several electrons in the presence of a classical external magnetic field. Moreover, we show that there exist infinitely…

In this paper, a phenomenological theory of saturated ferromagnetoelastic conductors is established using a multi-continuum model and the classical laws of mechanics, thermodynamics and electromagnetics. The theory is nonlinear and is valid…

We propose a framework to learn the time-dependent Hartree-Fock (TDHF) inter-electronic potential of a molecule from its electron density dynamics. Though the entire TDHF Hamiltonian, including the inter-electronic potential, can be…

Within the Hartree-Fock approximation the ground state of the composite fermion metal is found. We observe that the single-particle energy spectrum is dominated by the logarithmic interaction exchange term which leads to an infinite jump of…

The binding energies of neutron rich strangeness $S=-1$ hypernuclei are estimated in the chiral soliton approach using the bound state rigid oscillator version of the SU(3) quantization model. Additional binding of strange hypernuclei in…

We perform Hartree-Fock+BCS calculations for even-even nuclei with 2 <= Z <= 82 and N ranging from outside the proton drip line to the experimental frontier on the neutron-rich side. The ground state solutions are obtained for 737 nuclei,…

We present a fully numerical framework for the optimization of molecule-specific quantum chemical basis functions within the quantics tensor train format using a finite-difference scheme. The optimization is driven by solving the…

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…

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 $1$.…

In a recent article (Canc\`es, Deleurence and Lewin, Commun. Math. Phys., 281 (2008), pp. 129-177), we have rigorously derived, by means of bulk limit arguments, a new variational model to describe the electronic ground state of insulating…

Electrons in strong magnetic fields can be described by one-dimensional models in which the Coulomb potential and interactions are replaced by regularizations associated with the lowest Landau band. For a large class of models of these…

Using the self-consistent Hartree-Fock method, we calculate the persistent current of weakly-interacting spinless electrons in a one-dimensional ring containing a single delta-barrier. We find that the persistent current decays with the…

We investigate the exchange effect between the final atom's bound electrons and those emitted in the allowed $\beta$-decay of the initial nucleus. The electron wave functions are obtained with the Dirac-Hartree-Fock-Slater self-consistent…

This article is concerned with the numerical simulations of perfect crystals. We study the rate of convergence of the reduced Hartree-Fock (rHF) model in a supercell towards the periodic rHF model in the whole space. We prove that, whenever…

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…

The exchange interaction is investigated theoretically for electrons confined to a 2-D sample placed in a linearly varying magnetic field perpendicular to the plane. Unusual and interesting behavior is predicted: starting from zero, as one…

The Born-Oppenheimer (BO) approximation is less accurate in the presence of a strong magnetic field than in the absence of a field. This is due to the complicated and unpredictable response of electronic structure to the field, especially…

A new finite-range representation of the JLM effective nucleon-nucleon interaction is suggested based on the CDM3Y density dependent functional and M3Y-Paris interaction. The density dependence has been carefully adjusted at each energy so…

Electron correlation effects play a key role in stabilising two-electron atoms near the critical nuclear charge, representing the smallest charge required to bind two electrons. However, deciphering the importance of these effects relies on…