Published March 1983 | Version v1
Journal article Metadata-only

Two centre overlap integrals of numerical wavefunctions

Creators

  • 1. National Research Council of Canada, Ottawa, Ontario
  • 2. General Engineering System Ltd. (GENESYS), Ottawa, Ontario (Canada)
  • 3. Nigeria Univ., Nsukka

Description

The overlap integrals between the two orbitals expressed with numerical wave functions are determined. (orig.)

Additional details

Publishing Information

Journal Title
Comput. Phys. Commun.
Journal Volume
29
Journal Issue
1
Series
CODEN: CPHCB.;Comput. Phys. Commun.
Journal Page Range
87-95
ISSN
0010-4655

INIS

Country of Publication
Netherlands
Country of Input or Organization
Netherlands
INIS RN
14773361
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
FORTRAN; INTEGRAL CALCULUS; INTEGRALS; MOLECULAR ORBITAL METHOD; NUMERICAL SOLUTION; QUANTUM MECHANICS; T CODES; WAVE FUNCTIONS
Descriptors DEC
COMPUTER CODES; FUNCTIONS; MATHEMATICS; MECHANICS; PROGRAMMING LANGUAGES