Electrostatic interaction for arbitrary point groups, configurations, and coupling schemes

✍ Scribed by Gerhard Fieck; Joachim Wirsich

• Book ID: 104580031
• Publisher: John Wiley and Sons
• Year: 1980
• Tongue: English
• Weight: 859 KB
• Volume: 18
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/qua.560180310

✦ Synopsis

Abstract

The electrostatic interaction for arbitrary symmetry (including non‐simply reducible point groups), different coupling schemes, and several open shells is discussed from a common viewpoint using the particle‐number representation (second quantization). The different coupling schemes simply arise from a different interpretation of the relevant symmetry group. Using the adjective CFPS of the preceding paper, the interaction within several open shells can be calculated. In the case of one‐center expansions like ligand field theory the many‐particle matrix elements are directly expressed by the radial Slater integrals using isoscalar factors. An example of the formalism is worked out. By the way the unitary transformations between strong and weak field coupling schemes are expressed recursively in the number of particles.