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Volumn 105, Issue 18, 1996, Pages 8231-8236

Plane waves basis sets in the description of diatomic anions and valence charge density

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000971832     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472701     Document Type: Article
Times cited : (7)

References (28)
  • 7
    • 84927986919 scopus 로고
    • Computer Simulations in Materials Science (Kluwer Academic, Dordrecht), edited by M. Meyer and V. Pontikis
    • A. Rappe and J. D. Joannopoulos, in Computer Simulations in Materials Science (Kluwer Academic, Dordrecht), edited by M. Meyer and V. Pontikis, NATO ASI 204, 409 (1991).
    • (1991) NATO ASI , vol.204 , pp. 409
    • Rappe, A.1    Joannopoulos, J.D.2
  • 17
    • 26144450583 scopus 로고
    • In the present work the exchange and correlation potential used was set according to P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
    • (1981) Phys. Rev. B , vol.23 , pp. 5048
    • Perdew, P.1    Zunger, A.2
  • 20
    • 85033037287 scopus 로고
    • Ph.D. Thesis, Chemical Physics Laboratory, Twente University of Technology, Enschede, The Netherlands
    • M. P. C. M. Krijn, Ph.D. Thesis, Chemical Physics Laboratory, Twente University of Technology, Enschede, The Netherlands, 1988.
    • (1988)
    • Krijn, M.P.C.M.1
  • 22
    • 85033037748 scopus 로고    scopus 로고
    • See Ref. 17, p. 226
    • See Ref. 17, p. 226.
  • 26
    • 0003428285 scopus 로고
    • D. E. Gray, Ed., McGraw-Hill, New York
    • The experimental data for neutral molecules were taken from D. E. Gray, Ed., American Institute of Physics Handbook (McGraw-Hill, New York, 1972).
    • (1972) American Institute of Physics Handbook


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