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The Journal of Chemical Physics
Volumn 86, Issue 2, 1986, Pages 866-872
Energy-adjusted ab initio pseudopotentials for the first row transition elements
Author keywords

[No Author keywords available]
Indexed keywords

EID: 36549092018     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.452288     Document Type: Article
Times cited : (2936)
References (25)
  • 9
    • 85087224635 scopus 로고
    • Program MEFIT (Universität Stuttgart, Stuttgart), modified version of the program PSATOM (Ref. 11).
    • (1983)
    • Wedig, U.1
  • 10
    • 85087224213 scopus 로고
    • Thesis, Institut für Theoretische Chemie, Universität Stuttgart
    • (1986)
    • Wedig, U.1
  • 11
    • 85087224800 scopus 로고
    • Program psatom (Université Paul Sabatier, Toulouse, France), modified version of the program ATOM‐JCF written by B. Roos, C. Salez, A. Veillard, and E. Clementi, Technical Report RJ 518, IBM Research
    • (1968)
    • Barthelat, F.C.1    Durand, P.2
  • 12
    • 85087222663 scopus 로고
    • Universitát Stuttgart, modified version of C. Froese Fischer, program MCHF77, written by C. Froese Fischer (Pennsylvania State University, Pennsylvania)
    • (1977)
    • Dolg, M.1
  • 16
    • 85087223050 scopus 로고
    • program atmol, (Science and Engineering Research Council, Daresbury Laboratory, Warrington, Great Britain)
    • (1985)
    • van Lenthe, J.H.1    Saunders, V.R.2
  • 18
    • 85087222189 scopus 로고
    • Natl. Bur. Stand. Circ. 467 (U.S. GPO, Washington, D.C.)
    • (1952)
    • Moore, C.E.1
  • 25
    • 0016267973 scopus 로고
    • The all‐electron HF value for [formula omitted] was calculated to be [formula omitted] in contrast to the value of [formula omitted] given in Ref. 13 but in agreement with, The corresponding all‐electron HFR value was estimated to be [formula omitted] by adding the differential relativistic effect of [formula omitted] from Ref. 13 to the HF value of [formula omitted]
    • (1974) At. Data Nucl. Data Tables , vol.14 , pp. 177
    • Clementi, E.1    Roetti, C.2

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.