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Volumn 125, Issue 15, 2006, Pages

Third-order interactions in symmetry-adapted perturbation theory

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON EXCHANGE EFFECTS; EXCHANGE ENERGY; HARTREE-FOCK CALCULATIONS; SYMMETRY-ADAPTED PERTURBATION THEORY (SAPT);

EID: 33750155094     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2358353     Document Type: Article
Times cited : (98)

References (93)
  • 8
    • 84947145111 scopus 로고
    • M. C.van Hemert
    • B. Jeziorski and, M. C. van Hemert, Mol. Phys. 31, 713 (1976).
    • (1976) Mol. Phys. , vol.31 , pp. 713
    • Jeziorski, B.1
  • 12
    • 36449004185 scopus 로고    scopus 로고
    • S. Rybak, B. Jeziorski, and K. Szalewicz, J. Chem. Phys. 95, 6576 (1991). Note that there is a misprint in Eq. (110) of this reference, and this misprint has been replicated in Ref.. The correct form of Eq. (110) reads q ab rs = Sbr S a′ b′ ṽ a b′ a′ s -2 S b′ r S a′ b′ ṽ ab a′ s -2 Sbr Sa b′ ṽ a′ b′ a′ s +4 S b′ r Sa b′ ṽ a′ b a′ s -2 Sas Sb a′ ṽ a′ b′ r b′ +4 S a′ s Sb a′ ṽ a b′ r b′ + Sas S b′ a′ ṽ a′ b r b′ -2 S a′ s S b′ a′ ṽ ab r b′ + S b′ r S a′ s ṽ ab a′ b′ -2 Sbr S a′ s ṽ a b′ a′ b′ -2 S b′ r Sas ṽ a′ b a′ b′ + Sb a′ Sa b′ ṽ a′ b′ rs -2 Sb a′ S a′ b′ ṽ a b′ rs -2 S b′ a′ Sa b′ ṽ a′ b rs.
    • (1991) J. Chem. Phys. , vol.95 , pp. 6576
    • Rybak, S.1    Jeziorski, B.2    Szalewicz, K.3
  • 13
    • 36449004185 scopus 로고    scopus 로고
    • Note that there is a misprint in Eq. (110) of this reference, and this misprint has been replicated in Ref. 16. The correct form of Eq. (110) reads q ab rs = Sbr S a′ b′ ṽ a b′ a′ s -2 S b′ r S a′ b′ ṽ ab a′ s -2 Sbr Sa b′ ṽ a′ b′ a′ s +4 S b′ r Sa b′ ṽ a′ b a′ s -2 Sas Sb a′ ṽ a′ b′ r b′ +4 S a′ s Sb a′ ṽ a b′ r b′ + Sas S b′ a′ ṽ a′ b r b′ -2 S a′ s S b′ a′ ṽ ab r b′ + S b′ r S a′ s ṽ ab a′ b′ -2 Sbr S a′ s ṽ a b′ a′ b′ -2 S b′ r Sas ṽ a′ b a′ b′ + Sb a′ Sa b′ ṽ a′ b′ rs -2 Sb a′ S a′ b′ ṽ a b′ rs -2 S b′ a′ Sa b′ ṽ a′ b rs.
    • S. Rybak, B. Jeziorski, and K. Szalewicz, J. Chem. Phys. 95, 6576 (1991). Note that there is a misprint in Eq. (110) of this reference, and this misprint has been replicated in Ref.. The correct form of Eq. (110) reads q ab rs = Sbr S a′ b′ ṽ a b′ a′ s -2 S b′ r S a′ b′ ṽ ab a′ s -2 Sbr Sa b′ ṽ a′ b′ a′ s +4 S b′ r Sa b′ ṽ a′ b a′ s -2 Sas Sb a′ ṽ a′ b′ r b′ +4 S a′ s Sb a′ ṽ a b′ r b′ + Sas S b′ a′ ṽ a′ b r b′ -2 S a′ s S b′ a′ ṽ ab r b′ + S b′ r S a′ s ṽ ab a′ b′ -2 Sbr S a′ s ṽ a b′ a′ b′ -2 S b′ r Sas ṽ a′ b a′ b′ + Sb a′ Sa b′ ṽ a′ b′ rs -2 Sb a′ S a′ b′ ṽ a b′ rs -2 S b′ a′ Sa b′ ṽ a′ b rs.
  • 38
    • 33750182608 scopus 로고
    • Ph.D thesis, University of Warsaw
    • S. Rybak, Ph.D thesis, University of Warsaw, 1991.
    • (1991)
    • Rybak, S.1
  • 68
    • 33750178120 scopus 로고
    • Ph.D. thesis, University of Warsaw
    • P. Jankowski, Ph.D. thesis, University of Warsaw, 1995.
    • (1995)
    • Jankowski, P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.