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Volumn 58, Issue 2, 1996, Pages 185-192

Calculations of molecules, clusters, and solids with a simplified LCAO-DFT-LDA scheme

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EID: 0007638285     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1996)58:2<185::AID-QUA7>3.0.CO;2-U     Document Type: Article
Times cited : (816)

References (42)
  • 7
    • 0018155765 scopus 로고
    • H. Eschrig and I. Bergert, Phys. Stat. Sol. (b) 90, 621 (1978). Ibid., The optimized LCAO Method and Electronic Structure of Extended Systems (Akademieverlag, Berlin, 1988).
    • (1978) Phys. Stat. Sol. (B) , vol.90 , pp. 621
    • Eschrig, H.1    Bergert, I.2
  • 20
  • 29
    • 0000784767 scopus 로고
    • K. A. Gingerich, H. C. Finkbeiner, and R. W. Schmude, Chem. Phys. Lett. 207, 23 (1993). Ibid., J. Am. Chem. Soc. 116, 3884 (1994). K. A. Gingerich, Chem. Phys. Lett. 196, 245 (1992).
    • (1992) Chem. Phys. Lett. , vol.196 , pp. 245
    • Gingerich, K.A.1
  • 31
    • 4043117938 scopus 로고
    • R. W. Schmude, Q. Ran, and K. A. Gingerich, J. Chem. Phys. 99, 7998 (1993). Q. Ran. R. W. Schmude, M. Miller, and K. A. Gingerich, Chem. Phys. Lett. 230, 337 (1994). R. W. Schmude, Q. Ran, K. A. Gingerich, and J. E. Kingcade, to be published. R. W. Schmude and K. A. Gingerich, private communication.
    • (1993) J. Chem. Phys. , vol.99 , pp. 7998
    • Schmude, R.W.1    Ran, Q.2    Gingerich, K.A.3
  • 32
    • 0001122144 scopus 로고
    • R. W. Schmude, Q. Ran, and K. A. Gingerich, J. Chem. Phys. 99, 7998 (1993). Q. Ran. R. W. Schmude, M. Miller, and K. A. Gingerich, Chem. Phys. Lett. 230, 337 (1994). R. W. Schmude, Q. Ran, K. A. Gingerich, and J. E. Kingcade, to be published. R. W. Schmude and K. A. Gingerich, private communication.
    • (1994) Chem. Phys. Lett. , vol.230 , pp. 337
    • Ran, Q.1    Schmude, R.W.2    Miller, M.3    Gingerich, K.A.4
  • 33
    • 85033849604 scopus 로고    scopus 로고
    • to be published
    • R. W. Schmude, Q. Ran, and K. A. Gingerich, J. Chem. Phys. 99, 7998 (1993). Q. Ran. R. W. Schmude, M. Miller, and K. A. Gingerich, Chem. Phys. Lett. 230, 337 (1994). R. W. Schmude, Q. Ran, K. A. Gingerich, and J. E. Kingcade, to be published. R. W. Schmude and K. A. Gingerich, private communication.
    • Schmude, R.W.1    Ran, Q.2    Gingerich, K.A.3    Kingcade, J.E.4
  • 34
    • 85033857748 scopus 로고    scopus 로고
    • private communication
    • R. W. Schmude, Q. Ran, and K. A. Gingerich, J. Chem. Phys. 99, 7998 (1993). Q. Ran. R. W. Schmude, M. Miller, and K. A. Gingerich, Chem. Phys. Lett. 230, 337 (1994). R. W. Schmude, Q. Ran, K. A. Gingerich, and J. E. Kingcade, to be published. R. W. Schmude and K. A. Gingerich, private communication.
    • Schmude, R.W.1    Gingerich, K.A.2
  • 39
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    • M. T. Yin and M. L. Cohen, Phys. Rev. B 24,6121 (1981). Ibid., 29, 6996 (1984).
    • (1984) Phys. Rev. B , vol.29 , pp. 6996


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