Chem. J. Chinese Universities ›› 1991, Vol. 12 ›› Issue (1): 111.

• Articles • Previous Articles     Next Articles

Unitary Group Configuration Interaction Method and its Application

Gao Zhi-ming, Li Zhi-ru, Feng Ji-kang   

  1. Department of Chemistry, Jilin University, Changchun, 130023
  • Received:1988-09-04 Online:1991-01-24 Published:1991-01-24

Abstract: This paper introduced Unitary Group Configuration Interaction (UGCI) method, which was programed by ourselves. At the same time, restricted CNDO program was complied. Then, these two programs were connected together for CNDO-UGCI calculations. Results of calculations illustrate that CNDO-UGCI program is true and UGCImethod is very efficient.

Key words: UGCI, CNDO-UGCI, GUGA, CI

TrendMD: