Accession Number : AD0617703

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

Descriptive Note : Final technical rept.,

Corporate Author : C-E-I-R LTD LONDON (ENGLAND)

Personal Author(s) : Mayers,D. F. ; Hirsh,A. J.

Report Date : APR 1965

Pagination or Media Count : 298

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)

Descriptors :   (*ATOMIC STRUCTURE, FUNCTIONS(MATHEMATICS)), (*COMPUTER PROGRAMMING, DIFFERENTIAL EQUATIONS), (*DIFFERENTIAL EQUATIONS, ATOMIC STRUCTURE), ATOMIC ENERGY LEVELS, QUANTUM THEORY, INTEGRAL EQUATIONS, ITERATIONS, PROGRAMMING LANGUAGES

Distribution Statement : APPROVED FOR PUBLIC RELEASE