Accession Number : AD0749254

Title :   Calculation of Molecular Polarizabilities for Molecules with Second Row Atoms.

Descriptive Note : Technical memo.,

Corporate Author : PICATINNY ARSENAL DOVER N J

Personal Author(s) : Adams,George F.

Report Date : SEP 1972

Pagination or Media Count : 12

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)

Descriptors :   (*MOLECULAR ORBITALS, POLARIZATION), PERTURBATION THEORY, MATRICES(MATHEMATICS)

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE