Accession Number:

AD0435714

Title:

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

Descriptive Note:

Corporate Author:

NATIONAL BUREAU OF STANDARDS GAITHERSBURG MD

Personal Author(s):

• Weiss, A. W.
• Martin, J. B.

Report Date:

1963-07-18

Pagination or Media Count:

7.0

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.

Descriptors:

• *HELIUM
• *PERTURBATION THEORY
• *ATOMIC ORBITALS
• ERRORS
• POWER SERIES
• HARTREE FOCK APPROXIMATION
• GROUND STATE
• REPRINTS
• SPECIAL FUNCTIONS(MATHEMATICS)
• CORRECTIONS
• QUANTUM THEORY
• WAVE FUNCTIONS

Subject Categories:

• Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE