HARTREE-FOCK WAVE FUNCTIONS FOR THE 4P SHELL ATOMS

Abstract

Conventional (or restricted) Hartree-Fock wave functions have been obtained for Ga+, Ge++, Br-, Rb+ and the neutral atoms Zn, Ga, Ge, As, Se, Br and Kr. Analytic Hartree-Fock methods utilizing a version or Nesbet's symmetry and equivalence restrictions were used to obtain the solutions in analytic form (sums of powers or r times exponentials). Results are given in the form of wave functions, one-electron energies, and total energies. Comparison is made with the earlier results for Zn and Kr, the only atoms in this group for which H-F solutions exist.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Jun 01, 1961
Accession Number
AD0263269

Entities

People

  • A. J. Freeman
  • R. E. Watson

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Advanced Electronics
  • Energy and Power Technologies
  • Weapons Technologies

DTIC Thesaurus Topics

  • Accuracy
  • Angular Momentum
  • Atoms
  • Contracts
  • Department Of Defense
  • Electron Energy
  • Electrons
  • Energy
  • Government Procurement
  • Governments
  • Massachusetts
  • Materials
  • Munitions
  • Plastic Explosives
  • Standardization
  • Standards
  • Wave Functions

Fields of Study

  • Physics

Readers

  • Approximation Theory.
  • Aviation Safety and Air Traffic Management
  • Quantum Chemistry

Technology Areas

  • Microelectronics