Accession Number:

AD0705223

Title:

CHEMICAL ELECTRONIC STRUCTURE THEORY.

Descriptive Note:

Final summary rept.,

Corporate Author:

PRINCETON UNIV N J DEPT OF CHEMISTRY

Personal Author(s):

Report Date:

1970-04-01

Pagination or Media Count:

9.0

Abstract:

A brief summary of the authors research is given. The research included three areas The elucidation of important chemical force laws or rules which can then be applied, quantitatively or qualitatively, to specific large molecules of chemical interest The development to find out exactly where various existing semi-empirical schemes break down The development of a systematic analysis of ab initio wavefunctions to assay the chemical information content in their millions of molecular integrals, thereby attempting to greatly reduce the complexity and computation time required.

Subject Categories:

  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE