Das SCF-MO-P(LCGO)-Verfahren und seine Varianten
Abstract
A modification of the SCF-MO-LCGO method is proposed in the form of a qualitative ab initio method. Naphthalene is treated as a test case; good agreement between calculated and experiemental results is obtained. The capabilities of the method for quantum-chemical calculations are discussed.
- Publication:
-
International Journal of Quantum Chemistry
- Pub Date:
- 1968
- DOI:
- 10.1002/qua.560020506
- Bibcode:
- 1968IJQC....2..651P