Development & Practical Application of the Theory of Materials.
Final rept. 1 Sep 76-28 Feb 81,
VANDERBILT UNIV NASHVILLE TENN
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This report summarizes research under this Grant to develop new theoretical and computational methods for studying the properties of materials. In particular, it describes the use of ab initio methods to predict a chemical bonding in systems composed of heavy elements, b relativistic effects in molecules, and c relativistic calculation of core-electron x-ray ionization spectra and related effects. Author
- Quantum Theory and Relativity