Relativistic perturbation theory of molecular structure
β Scribed by A. Rutkowski; D. Rutkowska; W. H. E. Schwarz
- Publisher
- Springer
- Year
- 1992
- Tongue
- English
- Weight
- 552 KB
- Volume
- 84
- Category
- Article
- ISSN
- 1432-2234
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π SIMILAR VOLUMES
The theoretical and technical foundations are presented for the efficient relativistic electronic structure theories to treat heavy-atomic molecular systems. This review contains two surveys of four-component and two-component quasi-relativistic approaches. First, we review our highly efficient comp
A relativistic direct perturbation theory approach has been implemented at the multiconfiguration HartreeαFock level into the numerical program package LUCAS. The method has been applied to the closed-shell Be, Zn, Cd, and Hg atoms and to the rare gases Ne to Rn. The scalar relativistic valence-corr
f ust-order rclatlvlstlc calculations give ;1 rclatlve error m the estimate of the total correctlon whtch mcreases tie 2' Recent &St-order relatxbtstic calcufatrons wzth the