메뉴 건너뛰기




Volumn 114, Issue 3, 2001, Pages 1133-1141

Second-order quasi-degenerate perturbation theory with quasi-complete active space self-consistent field reference functions

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TRANSITIONS; HAMILTONIANS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

EID: 0035121120     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1332992     Document Type: Article
Times cited : (62)

References (38)
  • 6
  • 9
    • 0342498242 scopus 로고    scopus 로고
    • Exactly, CSF selection according to the magnitude or the CAS-C1 coefficients is now available in both GAMESS and HONDO. The contribution from unselected CSFs is taken into account perturbatively
    • Exactly, CSF selection according to the magnitude or the CAS-C1 coefficients is now available in both GAMESS and HONDO. The contribution from unselected CSFs is taken into account perturbatively.
  • 28
    • 0342498196 scopus 로고    scopus 로고
    • The definition of QCAS in the present paper is somewhat different from that of Ref. 18
    • The definition of QCAS in the present paper is somewhat different from that of Ref. 18.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.