SPIN-COUPLED CALCULATIONS BASED ON PROJECTED SPIN EIGENFUNCTIONS

Authors
FRIISJENSEN B COOPER DL RETTRUP S
Citation
B. Friisjensen et al., SPIN-COUPLED CALCULATIONS BASED ON PROJECTED SPIN EIGENFUNCTIONS, Theoretical chemistry accounts, 99(1), 1998, pp. 64-67
Citations number
12
Categorie Soggetti
Chemistry Physical
Journal title
Theoretical chemistry accounts → ACNP
ISSN journal
1432881X
Volume
99
Issue
1
Year of publication
1998
Pages
64 - 67
Database
ISI
SICI code
1432-881X(1998)99:1<64:SCBOPS>2.0.ZU;2-U
Abstract
It is outlined how the utilization of a basis of projected spin eigenf unctions can lead to increased computational efficiency in the evaluat ion of matrix elements and density matrices in spin-coupled valence bo nd calculations.