Subroutines for the Calculation of CNDO/2 and Indo Monoatomic and Diatomic Energy Contributions, Wiberg Bond Indices, Total and Individual Orbital Overlap Populations.
Abstract
Six computer subroutines have been written in FORTRAN IV for the calculation of monoatomic and diatomic energies, total overlap populations, contribution of each orbital to the total overlap populations and total Wiberg bond indices. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Oct 01, 1973
- Accession Number
- AD0770377
Entities
People
- M. A. Schroeder
- M. Inatome
Organizations
- Ballistic Research Laboratory