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Electron spin-spin coupling from multireference configuration interaction wave functions

✍ Scribed by Gilka, Natalie; Taylor, Peter R.; Marian, Christel M.

Book ID
118214379
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
554 KB
Volume
129
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES

A multireference configuration interacti
A multireference configuration interaction method based on the separated electron pair wave functions
✍ Jing Ma; Shuhua Li; Wei Li πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 147 KB

## Abstract A multireference configurational interaction method based on the separated electron pair (SEP) wave functions, SEP‐CI approach, has been developed as an approximation to the traditional CASSCF method. It differs from the CASSCF method in that active orbitals are obtained from the SEP wa