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Numerische Mathematik
Volumn 83, Issue 2, 1999, Pages 179-186
Adaptive accuracy control for Car-Parrinello simulations
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Indexed keywords

EID: 0040117162     PISSN: 0029599X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002110050445     Document Type: Article
Times cited : (4)
References (7)
  • 1
    • 84973654655 scopus 로고
    • Zur quantentheorie der molekeln
    • Born, M., Oppenheimer, R. (1927): Zur Quantentheorie der Molekeln. Ann. Phys. 84, 457
    • (1927) Ann. Phys. , vol.84 , pp. 457
    • Born, M.1    Oppenheimer, R.2
  • 2
    • 0039835159 scopus 로고    scopus 로고
    • A mathematical investigation of the CarParrinello method
    • Bornemann, F.A., Schütte, Ch. (1998): A mathematical investigation of the CarParrinello method. Numer. Math. 78, 359-376
    • (1998) Numer. Math. , vol.78 , pp. 359-376
    • Bornemann, F.A.1    Schütte, Ch.2
  • 3
    • 4243606192 scopus 로고
    • Unified approach for molecular dynamics and density-functional theory
    • Car, R., Parrinello, M. (1985): Unified approach for molecular dynamics and density-functional theory. Phys. Rev. Lett. 55, 2471-2474
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2471-2474
    • Car, R.1    Parrinello, M.2
  • 4
    • 0002241894 scopus 로고
    • A time dependent born-Oppenheimer approximation
    • Hagedorn, G.A., (1980): A time dependent Born-Oppenheimer approximation. Commun. Math. Phys. 77, 1-19
    • (1980) Commun. Math. Phys. , vol.77 , pp. 1-19
    • Hagedorn, G.A.1
  • 5
    • 0003195869 scopus 로고
    • Solving ordinary differential equations I
    • Springer Verlag, Berlin, Heidelberg, New York, Tokyo, 2nd edition
    • Hairer, E., Nørsett, S.P., Wanner, G. (1993): Solving Ordinary Differential Equations I, Nonstiff Problems. Springer Verlag, Berlin, Heidelberg, New York, Tokyo, 2nd edition
    • (1993) Nonstiff Problems
    • Hairer, E.1    Nørsett, S.P.2    Wanner, G.3
  • 6
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • Kohn, W., Sham, L.J. (1965): Self-consistent equations including exchange and correlation effects. Phys. Rev. 140 A1133-A1138
    • (1965) Phys. Rev. , vol.140
    • Kohn, W.1    Sham, L.J.2
  • 7
    • 0000337910 scopus 로고
    • Theory of ab initio molecular-dynamics calculations
    • Pastore, G., Smargiassi, E., Buda, F. (1991): Theory of ab initio molecular-dynamics calculations. Phys. Rev. 44 A6334-A6347
    • (1991) Phys. Rev. , vol.44
    • Pastore, G.1    Smargiassi, E.2    Buda, F.3

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.