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Volumn 111, Issue 7, 1999, Pages 2927-2939

Approaches to the approximate treatment of complex molecular systems by the multiconfiguration time-dependent Hartree method

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000115082     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.479574     Document Type: Article
Times cited : (264)

References (60)
  • 20
    • 85034491134 scopus 로고    scopus 로고
    • note
    • f) for the pure-state case.
  • 25
    • 85034519212 scopus 로고    scopus 로고
    • note
    • If this is not the case, a different type of variational principle [either the Lagrangian variational principle (Refs. 9, 23), or the one formulated by McLachlan (Ref. 58)] should be applied.
  • 28
    • 85034494996 scopus 로고    scopus 로고
    • note
    • †B), given two operators A and B. Other definitions of the Liouville-space scalar product can in principle be considered (Ref. 59).
  • 30
    • 85034513658 scopus 로고    scopus 로고
    • note
    • (f)* .
  • 31
    • 85034506396 scopus 로고    scopus 로고
    • note
    • This property had been noted early on by McLachlan (Ref. 58), who dismissed the present form of the variational principle for density matrices on these grounds. Heller (Ref. 60) suggested to reintroduce the conservation of Tr(ρH) via an additional constraint.
  • 36
    • 85034495709 scopus 로고    scopus 로고
    • note
    • (m)〉 which is omitted for simplicity.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.