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Volumn 78, Issue 3, 1998, Pages 359-376

A mathematical investigation of the Car-Parrinello method

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EID: 0039835159     PISSN: 0029599X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002110050316     Document Type: Article
Times cited : (58)

References (17)
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    • Car, R.1    Parrinello, M.2
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    • A time dependent Born-Oppenheimer approximation
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  • 7
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    • Inhomogeneous electron gas
    • Hohenberg, P.C., Kohn, W. (1964). Inhomogeneous electron gas. Phys. Rev. 136, pp. B864-B871
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    • Hohenberg, P.C.1    Kohn, W.2
  • 8
    • 0000948202 scopus 로고
    • Integrating the Car-Parrinello equations. III. Techniques for ultrasoft pseudopotentials
    • Hutter, J., Tuckerman, M.E., Parrinello, M. (1995). Integrating the Car-Parrinello equations. III. Techniques for ultrasoft pseudopotentials. J. Chem. Phys. 102, pp. 859-871
    • (1995) J. Chem. Phys. , vol.102 , pp. 859-871
    • Hutter, J.1    Tuckerman, M.E.2    Parrinello, M.3
  • 10
    • 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, pp. A1133-A1138
    • (1965) Phys. Rev. , vol.140
    • Kohn, W.1    Sham, L.J.2
  • 14
    • 0000337910 scopus 로고
    • Theory of ab initio molecular-dynamics calculations
    • Pasture, G., Smargiassi, E., Buda, F. (1991). Theory of ab initio molecular-dynamics calculations. Phys. Rev. 44, pp. A6334-A6347
    • (1991) Phys. Rev. , vol.44
    • Pasture, G.1    Smargiassi, E.2    Buda, F.3
  • 15
    • 84947362301 scopus 로고
    • Molecular dynamics without effective potentials via the Car-Parrinello approach
    • Remler, D.K., Madden, P.A. (1990). Molecular dynamics without effective potentials via the Car-Parrinello approach. Mol. Phys. 70, pp. 921-966
    • (1990) Mol. Phys. , vol.70 , pp. 921-966
    • Remler, D.K.1    Madden, P.A.2
  • 16
    • 0000251219 scopus 로고
    • Integrating the Car-Parrinello equations. I. Basic integration techniques
    • Tuckerman, M.E., Parrinello, M. (1994). Integrating the Car-Parrinello equations. I. Basic integration techniques. J. Chem. Phys. 101, pp. 1302-1315
    • (1994) J. Chem. Phys. , vol.101 , pp. 1302-1315
    • Tuckerman, M.E.1    Parrinello, M.2
  • 17
    • 0000230077 scopus 로고
    • Integrating the Car-Parrinello equations. II. Multiple time scale techniques
    • Tuckerman, M.E., Parrinello, M. (1994). Integrating the Car-Parrinello equations. II. Multiple time scale techniques. J. Chem. Phys. 101, pp. 1316-1329
    • (1994) J. Chem. Phys. , vol.101 , pp. 1316-1329
    • Tuckerman, M.E.1    Parrinello, M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.