THE CALCULATION OF ATOMIC WAVE FUNCTIONS BY SOLUTION OF THE HARTREE-FOCK EQUATIONS.

Abstract

A program prepared for the IBM 7090 to solve the general form of the Hartree-Fock equations is described. The program is written in FORTRAN II except for three subroutines which are written in the FAP language. It is divided into four parts which contain: I. Basic theory and method of numerical solution; II. User's guide to the program; III. Subroutine Specifications; IV. Flow diagrams and listing. (Author)

Document Details

Document Type
Technical Report
Publication Date
Apr 01, 1965
Accession Number
AD0617703

Entities

People

  • A. J. Hirsh
  • D. F. Mayers

Tags

DTIC Thesaurus Topics

  • Computer Programs
  • Equations
  • Language
  • Mathematics
  • Procedures (Computers)
  • Specifications
  • Wave Functions

Readers

  • Calculus or Mathematical Analysis
  • Computer Science.
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.