FIRST-ORDER PERTURBATION CORRECTIONS TO THE HARTREE-FOCK APPROXIMATION FOR HELIUM

Abstract

Variational perturbation theory has been used to compute the first- order wave function for the ground state of the helium atom, in a scheme where the Hartree-Fock function is treated as the zeroth-order approximation. The first-order function was approximated by a Hylleraas-like expansion. A total energy through third order of -2.90262 a.u., as compared with the nonrelativistic eigenvalue of -2.90372 was obtained. The first-order corrections to expectation values of a selection of one- and two-electron operators have been computed. The calculations have also been done for the isoelectronic ions, H(-), Li(+), and Be(+).

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Document Details

Document Type
Technical Report
Publication Date
Jul 18, 1963
Accession Number
AD0435714

Entities

People

  • A. W. Weiss
  • J. B. Martin

Organizations

  • National Institute of Standards and Technology

Tags

DTIC Thesaurus Topics

  • Atomic Structure
  • Atoms
  • Complex Systems
  • Delta Functions
  • Electrons
  • Elements
  • Equations
  • Errors
  • Ground State
  • Hartree Fock Approximation
  • Integrals
  • New York
  • Perturbation Theory
  • Perturbations
  • Quantum Mechanics
  • Variational Principles
  • Wave Functions

Fields of Study

  • Physics

Readers

  • Fluid Dynamics.
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.

Technology Areas

  • Microelectronics