CHEMICAL ELECTRONIC STRUCTURE THEORY.
Final summary rept.,
PRINCETON UNIV N J DEPT OF CHEMISTRY
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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.
- Atomic and Molecular Physics and Spectroscopy