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Volumn 105, Issue 20, 1996, Pages 9182-9190

Accuracy of approximate kinetic energy functionals in the model of Kohn-Sham equations with constrained electron density: The FH⋯NCH complex as a test case

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EID: 0000176795     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472823     Document Type: Article
Times cited : (137)

References (41)
  • 8
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    • Embeded Density Functional (EDFT) corresponds to Eqs. (1)-(4) in this paper
    • E. V. Stefanovitch and T. N. Truong, J. Chem. Phys. 104, 2946 (1996). (Embeded Density Functional (EDFT) corresponds to Eqs. (1)-(4) in this paper.)
    • (1996) J. Chem. Phys. , vol.104 , pp. 2946
    • Stefanovitch, E.V.1    Truong, T.N.2
  • 18
    • 33645807535 scopus 로고
    • Ph.D. thesis, University of North Carolina
    • D. R. Murphy, Ph.D. thesis, University of North Carolina, 1979.
    • (1979)
    • Murphy, D.R.1
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    • 33645820180 scopus 로고
    • Ph.D. thesis, Harvard University
    • E. W. Pearson, Ph.D. thesis, Harvard University, 1982.
    • (1982)
    • Pearson, E.W.1
  • 25
    • 0002851019 scopus 로고
    • edited by P. Ziesche and H. Eschrig Academie Verlag, Berlin
    • J. P. Perdew and Y. Wang, in Electronic Structure of Solids '91, edited by P. Ziesche and H. Eschrig (Academie Verlag, Berlin, 1991), p. 11.
    • (1991) Electronic Structure of Solids '91 , pp. 11
    • Perdew, J.P.1    Wang, Y.2
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    • Ph.D. thesis, University of Montreal
    • A. St-Amant, Ph.D. thesis, University of Montreal, 1991.
    • (1991)
    • St-Amant, A.1
  • 35
    • 85033039898 scopus 로고    scopus 로고
    • 2, s4, and s6 terms is calculated before taking the 1/15 power. To avoid this catoffs are used
    • 2, s4, and s6 terms is calculated before taking the 1/15 power. To avoid this catoffs are used.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.