Model core potentials for the lanthanides
β Scribed by Yoshiko Sakai; Eisaku Miyoshi; Hiroshi Tatewaki
- Book ID
- 114143081
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 128 KB
- Volume
- 451
- Category
- Article
- ISSN
- 0166-1280
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π SIMILAR VOLUMES
## Abstract New nonrelativistic and scalarβrelativistic pseudopotentials for the secondβ and thirdβrow transition metals have been developed. These improved Model Core Potentials were used in calculations for a variety of transition metal complexes to test their ability to reproduce experimental st
## Abstract We developed new model core potentials (MCPs) for sβblock elements from Na to Ra, in which the outer core (__n__ β 1)s and (__n__ β 1)p electrons are treated explicitly together with the __n__s electrons. By adding suitable correlating functions, we demonstrated that the present MCP bas