Calculation of Molecular Polarizabilities for Molecules with Second Row Atoms.
Abstract
An attempt was made to calculate components of the molecular polarizability tensor for molecules containing second row atoms. The semiempirical molecular orbital method known as the Complete Neglect of Differential Overlap (CNDO) was utilized in this work. Polarizability components are calculated for several molecules using finite field perturbation theory. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Sep 01, 1972
- Accession Number
- AD0749254
Entities
People
- George F. Adams
Organizations
- Picatinny Arsenal