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Using a Hartree-Fock mesh method and a configuration interaction approach based on a generalized Gaussian basis set we investigate the behaviour of the exchange and correlation energies of small atoms and molecules, namely th e helium and…

Atomic Physics · Physics 2009-10-31 P. Schmelcher , M. V. Ivanov , W. Becken

We compute the ground state energy of atoms and quantum dots with a large number N of electrons. Both systems are described by a non-relativistic Hamiltonian of electrons in a d-dimensional space. The electrons interact via the Coulomb…

Quantum Physics · Physics 2015-05-14 Hervé Kunz , Rico Rueedi

The persistent current in three-dimensional mesoscopic rings is investigated numerically. The model is tight-binding one with random site-energies and interaction between electrons. The Hartree-Fock approximation is adopted for the…

Condensed Matter · Physics 2007-05-23 D. Yoshioka , H. Kato

We present unrestricted Hartree Fock method coupled with configuration interaction (CI) method (URHF-CI) suitable for the calculation of ground and excited states of large number of electrons localized by complex gate potentials in…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Ramin M. Abolfath , Pawel Hawrylak

We present results for many-body perturbation theory for the one-body Green's function at finite temperatures using the Matsubara formalism. Our method relies on the accurate representation of the single-particle states in standard Gaussian…

Strongly Correlated Electrons · Physics 2018-04-04 Michael Schüler , Yaroslav Pavlyukh

A modified version of the Moller-Plesset approach for obtaining the correlation energy associated to a Hartree-Fock ground state is proposed. The method is tested in a model of interacting fermions that allows for an exact solution. Using…

Materials Science · Physics 2016-10-12 Alejandro Cabo , Francisco Claro , Eduardo Menendez-Proupin

We calculate energy spectra of a two-dimensional electron system in a perpendicular magnetic field and periodic potentials of short periods. The Coulomb interaction is included within a screened Hartree-Fock approximation. The electrostatic…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Andrei Manolescu , Vidar Gudmundsson

This chapter presents the development of a density functional theory (DFT)-based method for accurate, reliable treatment of various resonances in atoms. Many of these are known to be notorious for their strong correlation, proximity to more…

Chemical Physics · Physics 2019-04-19 Amlan K. Roy

The Coulomb Green's function (GF) for non-relativistic charged particle in field of attractive Coulomb force is extended to describe the interaction of two non-relativistic electrons through repulsive Coulomb forces. Closed-form expressions…

Quantum Physics · Physics 2023-10-26 Tomasz M. Rusin

We consider circular and elliptic quantum dots with parabolic external confinement, containing 0 - 22 electrons and with values of r_s in the range 0 < r_s < 3. We perform restricted and unrestricted Hartree-Fock calculations, and further…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Clare Sloggett , Oleg Sushkov

Effects of Coulomb interaction on persistent currents in disordered one-dimensional rings are numerically investigated. First of all effectiveness of the Hartree-Fock approximation is established on small systems. Then the calculations are…

Condensed Matter · Physics 2009-10-22 H. Kato , D. Yoshioka

We formulate a new Hartree-Fock-Bogoliubov method applicable to weakly bound deformed nuclei using the coordinate-space Green's function technique. An emphasis is put on treatment of quasiparticle states in the continuum, on which we impose…

Nuclear Theory · Physics 2009-12-17 Hiroshi Oba , Masayuki Matsuo

A Hartree-Fock and Hartree-Fock-Bogoliubov study of a few body system of spatially separated charge carriers was carried out. Using these variational states, we compute an approximation to the correlation energy of a finite system of…

Mesoscale and Nanoscale Physics · Physics 2009-11-30 Ian Mondragon-Shem , Francisco E. Lopez , Boris A. Rodriguez

We study the breaking of spin symmetry for the nonlinear Hartree-Fock model describing an infinite translation-invariant interacting quantum gas (fluid phase). At zero temperature and for the Coulomb interaction in three space dimensions,…

Mathematical Physics · Physics 2019-05-30 David Gontier , Mathieu Lewin

Correlation effects in the transport properties of a single quantum level coupled to electron reservoirs are discussed theoretically using a non-equilibrium Green functions approach. Our method is based on the introduction of a second-order…

Condensed Matter · Physics 2016-08-14 A. Levy Yeyati , A. Martín-Rodero , F. Flores

Proton-deuteron radiative capture and two- and three-body photodisintegration of 3He at low energy are described using realistic hadronic dynamics and including the Coulomb force. The sensitivity of the observables to the relativistic…

Nuclear Theory · Physics 2010-03-17 A. Deltuva , A. C. Fonseca , P. U. Sauer

The Coulomb interaction between the two protons is included in the calculation of proton-deuteron elastic scattering, radiative proton-deuteron capture and two-body electromagnetic disintegration of ${}^3\mathrm{He}$. The hadron dynamics is…

Nuclear Theory · Physics 2009-11-11 A. Deltuva , A. C. Fonseca , P. U. Sauer

The low energy spectrum of finite size metallic single-walled carbon nanotubes SWNTs) is determined. Starting from a tight binding model for the $p_{z}$ electrons, we derive the low energy Hamiltonian containing all relevant scattering…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Leonhard Mayrhofer , Milena Grifoni

We calculate the ground-state of a two-dimensional electron gas in a short-period lateral potential in magnetic field, with the Coulomb electron-electron interaction included in the Hartree-Fock approximation. For a sufficiently short…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Andrei Manolescu , Vidar Gudmundsson

A simple 1-D relativistic model for a diatomic molecule with a double point interaction potential is solved exactly in a constant electric field. The Weyl-Titchmarsh-Kodaira method is used to evaluate the spectral density function, allowing…

Quantum Physics · Physics 2012-10-01 Francois Fillion-Gourdeau , Emmanuel Lorin , Andre D. Bandrauk