A Simplification of the Hartree-Fock Method

From MaRDI portal
Publication:5804104

DOI10.1103/PhysRev.81.385zbMath0042.23202OpenAlexW2619609791MaRDI QIDQ5804104

J. C. Slater

Publication date: 1951

Published in: Physical Review (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1103/physrev.81.385



Related Items

On the eigenvalue problem of Schrödinger-Poisson system, Crystal Potential and Energy Bands of Semiconductors. IV. Exchange and Correlation, Parametrized Slater Modified Hartree-Fock Method Applied to Actinide Ions, The axial Hartree-Fock + BCS code SkyAx, Insights from intracules and Coulomb holes, Multiple positive solutions for a Schrödinger-Poisson-Slater equation with critical growth, Groundstates of the Schrödinger-Poisson-Slater equation with critical growth, An efficient implementation of two-component relativistic density functional theory with torque-free auxiliary variables, Spin and pseudo-spin symmetries of fermionic particles with an energy-dependent potential in non-commutative phase space, Quantum dissipative dynamics (QDD): a real-time real-space approach to far-off-equilibrium dynamics in finite electron systems, A priori error analysis of linear and nonlinear periodic Schrödinger equations with analytic potentials, Weighted Trace-Penalty Minimization for Full Configuration Interaction, Multiple positive solutions for a class of concave-convex Schrödinger-Poisson-Slater equations with critical exponent, THE IVP FOR THE SCHRÖDINGER–POISSON-Xα EQUATION IN ONE DIMENSION, A Note on Non-radial Sign-changing Solutions for the Schrödinger–Poisson Problem in the Semiclassical Limit, Deformation Potentials in Silicon. I. Uniaxial Strain, Existence and Stability of Standing Waves For Schrödinger-Poisson-Slater Equation, Ground state and bounded state solution for the nonlinear fractional Choquard-Schrödinger-Poisson system, Application of the Bethe-Weiss Method to the Theory of Antiferromagnetism, Electronic Energy Bands in Crystals, The Exchange Potential in an Electron Gas at Nonzero Temperature, A Generalized Self-Consistent Field Method, Exchange Potential in the Surface Region of a Free-Electron Metal, A Two-Electron Example of Ferromagnetism, Calculation of the Energy Band Structures of the Diamond and Germanium Crystals by the Method of Orthogonalized Plane Waves, Comparison of Various Approximate Exchange Potentials, Über eine Approximation des Hartree-Fockschen Potentials Durch eine Universelle Potentialfunktion, Point processes in arbitrary dimension from fermionic gases, random matrix theory, and number theory, Orthogonalized Plane Wave Method, Correlation Energy of Helium, Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction, Localized spectral asymptotics for boundary value problems and correlation effects in the free Fermi gas in general domains, LOCAL APPROXIMATION FOR THE HARTREE–FOCK EXCHANGE POTENTIAL: A DEFORMATION APPROACH, Well-posedness of a higher-order Schrödinger-Poisson-Slater system, The use of quadratic forms in the calculation of ground state electronic structures, Low-lying energy levels in ferromagnetic metals, Ab initio calculation of the deformation potential and photoelastic coefficients of silicon with a non-uniform finite-difference solver based on the local density approximation, Multiple positive solutions for a Schrödinger-Poisson-Slater system, Correlated and idempotent Dirac first-order density matrices with identical diagonal fermion density: a route to extract a one-body potential energy in TDDFT, Multiple solutions for the fractional Schrödinger-Poisson system with critical Sobolev exponent, Multiple solutions for the Schrödinger-Poisson equation with a general nonlinearity, Parameterised local spin density exchange-correlation energies and potentials for electronic structure calculations. I: Zero temperature formalism, Hartree-Fock type systems: existence of ground states and asymptotic behavior, A Wigner Monte Carlo approach to density functional theory, Impact of geometric, thermal and tunneling effects on nano-transistors, The fractal geometry of Hartree-Fock, Hartree and Thomas: the forefathers of density functional theory, Hartree-Fock theory in nuclear physics, The Wigner-Poisson-\(X_\alpha\) system in Wiener algebra, \(\Psi\)-model of micro- and macrosystems, Beyond computational difficulties: survey of the two decades from the elaboration to the extensive application of the Hartree-Fock method, GROUND AND BOUND STATES FOR A STATIC SCHRÖDINGER–POISSON–SLATER PROBLEM, Electronic Energy Bands in Iron, Plasma Oscillations in Metals, Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics, Electronic Energy Bands in Potassium, Application of the Orthogonalized Plane-Wave Method to Silicon Crystal, Unrestricted Hartree-Fock Method, Wave Functions and Energy Levels for Fe as Found by the Unrestricted Hartree-Fock Method, Existence and concentration behavior of positive solutions to Schrödinger-Poisson-Slater equations, Exchange and Superexchange Coupling between Conduction Electrons and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>d</mml:mi></mml:math>Electrons in Magnetic Materials, Use of ab initio methods to classify four existing energy density functionals according to their possible variational validity, Self-Consistent Treatment of the Independent-Particle Central-Field Nuclear Model, Representation of the Exchange Terms in Fock's Equations by a Quasi-Potential, Equation of motion of the correlated first-order density matrix for the ground-state of the Hookean atom with two electrons, Exact asymptotic solution of the Della Sala-Görling integral equation for the exchange-only potential for Be-like atomic ions at large Z, \textsc{radial} : a Fortran subroutine package for the solution of the radial Schrödinger and Dirac wave equations, Accurate computation of screened Coulomb potential integrals in numerical Hartree-Fock programs, MULTIPLE BOUND STATES FOR THE SCHRÖDINGER–POISSON PROBLEM, Modified regularity conditions for nonlinear programming problems over mixed cone domains, Scattering of Charged Particles by Neutral Atoms, Density matrices for itinerant and localized electrons with and without external fields, Scattering of Electrons by Neutral Atoms, Groundstate for the Schrödinger-Poisson-Slater equation involving the Coulomb-Sobolev critical exponent, Expansion Theorems for the Total Wave Function and Extended Hartree-Fock Schemes, Some Recent Advances in Density Matrix Theory, Arbitrary \(\ell\)-state solutions of the Klein-Gordon equation with the Manning-Rosen plus a class of Yukawa potentials, Simplified Self-Consistent Field Equations with Correlations, Approximate Methods in the Quantum Theory of Many-Fermion Systems, New Method for Calculating Wave Functions in Crystals and Molecules, Generalization of Band Theory to Include Self-Energy Corrections, Band Structure of Solid Argon, The ground state energy of heavy atoms: Relativistic lowering of the leading energy correction, Well posedness and smoothing effect of Schrödinger-Poisson equation, The Physical Nature of the Chemical Bond, Multiple solutions for a Schrödinger-Poisson-Slater equation with external Coulomb potential, The education of Walter Kohn and the creation of density functional theory, On a class of mixed Choquard-Schrödinger-Poisson systems, Existence and nonexistence of positive solutions for a static Schrödinger-Poisson-Slater equation, Non-radial sign-changing solutions for the Schrödinger-Poisson problem in the semiclassical limit, Comparing exact energy solutions of quartic eigenvalue polynomials in commutative, non-commutative and non-commutative phase frameworks for boson π−, Positive solutions for Schrödinger-Poisson-Slater system with coercive potential, Ground States for Semi-Relativistic Schrödinger-Poisson-Slater Energy, Ground state for the X-ray free electron laser Schrödinger equation with harmonic potential, Groundstates and radial solutions to nonlinear Schrödinger-Poisson-Slater equations at the critical frequency, An introduction to applied quantum mechanics in the Wigner Monte Carlo formalism, Quadratic duality over convex cone domains, On a class of nonlinear Schrödinger-Poisson systems involving a nonradial charge density, Cluster solutions for the Schrödinger-Poisson-Slater problem around a local minimum of the potential, On the computation of ground state and dynamics of Schrödinger-Poisson-Slater system, Electronic Band Structure of Group IV Elements and of III-V Compounds, Band Structure of White Tin, Modeling and simulation of electronic structure, material interface and random doping in nano-electronic devices, Functional differentiation, line integration, and departures from homogeneity of the single-particle kinetic energy functional for one-dimensional systems of N fermions, Exchange energy for two closed shells generated by a bare Coulomb potential energy \(-Ze^{2}/r\) in the limit of large \(Z\), in two dimensions, Local Density Approximations for the Energy of a Periodic Coulomb Model, On an Exchange Interaction Model for Quantum Transport: The Schrödinger–Poisson–Slater System, On ground state solutions for the Schrödinger-Poisson equations with critical growth, On the Schrödinger-Poisson-Slater system: behavior of minimizers, radial and nonradial cases, On the leading correction of the Thomas-Fermi model: Lower bound, TREATMENTS OF THE EXCHANGE ENERGY IN DENSITY-FUNCTIONAL THEORY, An energy-minimizing mesh for the Schrödinger equation, How the spin-orbit interaction appears with the same order of a non-commutative change of framework for relativistic fermions, A numerical study of the extended Kohn-Sham ground states of atoms, INFINITELY MANY POSITIVE SOLUTIONS FOR THE NONLINEAR SCHRÖDINGER–POISSON SYSTEM, Infinitely many positive solutions for Schrödinger-Poisson systems with nonsymmetry potentials, Orbital-dependent density functionals: Theory and applications, Eigensolution of the Klein-Gordon equation for modified Yukawa-Kratzer potential and its applications using parametric Nikiforov-Uvarov and SUSYQM method, Ground state solutions for a class of fractional Schrödinger-Poisson system with critical growth and vanishing potentials, Groundstates and infinitely many high energy solutions to a class of nonlinear Schrödinger-Poisson systems, On Hartree and Hartree-Fock equations in atomic and nuclear physics, Local exchange potentials for electronic structure calculations, Dissociation limit in Kohn-Sham density functional theory, Physics of neutron star crusts, Nonexistence results for the Schrödinger-Poisson equations with spherical and cylindrical potentials in \(\mathbb{R}^3\), The use of the repulsive potential in the quantum theory of solids, Nonlinear Field Theoretical Approaches to the Electron Density Amplitude Equation in Many-Electron Atoms and Molecules, Effects on the Pauli principle on the scattering of high-energy electrons by atoms, Eigenfunction behavior and adaptive finite element approximations of nonlinear eigenvalue problems in quantum physics, Semiclassical, $t\rightarrow \infty $ asymptotics and dispersive effects for Hartree-Fock systems, The Schrödinger-Poisson-\(X\alpha\) equation, MATHEMATICAL MODELING OF POINT DEFECTS IN MATERIALS SCIENCE



Cites Work