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Volumn 210, Issue 3, 1996, Pages 413-425

Density functional based structure optimization for molecules containing heavy elements: Analytical energy gradients for the Douglas-Kroll-Hess scalar relativistic approach to the LCGTO-DF method

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0030489377     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/0301-0104(96)00137-1     Document Type: Article
Times cited : (124)

References (84)
  • 51
    • 0039601533 scopus 로고
    • The challenge of d and f electrons. Theory and computation
    • eds. D.R. Salahub and M.C. Zerner Washington
    • N. Rösch, P. Knappe, P. Sandl, A. Görling and B.I. Dunlap, in: The challenge of d and f electrons. Theory and computation, ACS Symposium Series No. 394, eds. D.R. Salahub and M.C. Zerner (Washington, 1989) p. 180.
    • (1989) ACS Symposium Series No. 394 , vol.394 , pp. 180
    • Rösch, N.1    Knappe, P.2    Sandl, P.3    Görling, A.4    Dunlap, B.I.5
  • 63
    • 0003392735 scopus 로고
    • National Bureau of Standards, Washington DC
    • C.E. Moore, Atomic energy levels (National Bureau of Standards, Washington DC, 1971).
    • (1971) Atomic Energy Levels
    • Moore, C.E.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.