✦ LIBER ✦
Application of graphical methods of spin algebras to limited CI approaches. II. A simple open shell case
✍ Scribed by B. G. Adams; J. Paldus; J. Čížek
- Publisher
- John Wiley and Sons
- Year
- 1977
- Tongue
- English
- Weight
- 671 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
A time independent diagrammatic technique based on the Wick theorem and graphical methods of spin algebras, as outlined in Part I, is applied to a simple open shell case having one unpaired electron in addition to the pure singlet closed shell. Compact explicit expressions for the matrix elements of a spin independent Hamiltonian between conveniently chosen spin symmetry adapted states are given for the ground, mono‐ and bi‐excited configurations.