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Volumn 40, Issue 3, 2002, Pages 406-415

Efficient real-space multigrid method and applications to clusters and defects in SiO2

Author keywords

Cluster; Defect; Electronic structure; Multigird; Real space

Indexed keywords


EID: 0036004509     PISSN: 03744884     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (12)

References (51)
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    • G. Zumbach, N.A. Modine and E. Kaxiras, Solid State Commun. 99, 57 (1996); N.A. Modine, G. Zumbach and E. Kaxiras, Phys. Rev. B 55, 10 289 (1997).
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    • Modine, N.A.1    Zumbach, G.2    Kaxiras, E.3
  • 8
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    • E.L. Briggs, D.J. Sullivan and J. Bernholc, Phys. Rev. B 52, R5471 (1995); ibid. 54, 14 362 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 14362
  • 11
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    • P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L.J. Sham, ibid. 140, A1133 (1965).
    • (1964) Phys. Rev. , vol.136
    • Hohenberg, P.1    Kohn, W.2
  • 12
    • 0042113153 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L.J. Sham, ibid. 140, A1133 (1965).
    • (1965) Phys. Rev. , vol.140
    • Kohn, W.1    Sham, L.J.2
  • 18
    • 26144450583 scopus 로고
    • D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 566 (1980); J.P. Perdew and A. Junger, Phys. Rev. B 23, 5048 (1981).
    • (1981) Phys. Rev. B , vol.23 , pp. 5048
    • Perdew, J.P.1    Junger, A.2
  • 32
    • 0011975608 scopus 로고    scopus 로고
    • note
    • 2 in plane-wave calculations.
  • 45
    • 0012014462 scopus 로고    scopus 로고
    • note
    • The LDA and the GGA calculations show that this state is resonant in the conduction band while it lies below the conduction band minimum in the tight-binding calculations (see Ref. 24).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.