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Volumn 72, Issue 4, 2005, Pages

Buffered-cluster method for hybridization of density-functional theory and classical molecular dynamics: Application to stress-dependent reaction of H2O on nanostructured Si

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EID: 33749233456     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.045348     Document Type: Article
Times cited : (43)

References (45)
  • 5
    • 0004006619 scopus 로고    scopus 로고
    • edited by J. H. Fendler (Wiley-VCH, New York
    • Nanoparticles and Nanostructured Films, edited by, J. H. Fendler, (Wiley-VCH, New York, 1998).
    • (1998) Nanoparticles and Nanostructured Films
  • 11
    • 10644250257 scopus 로고
    • PRVBAK 0096-8269 10.1103/PhysRev.136.B864
    • P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964).
    • (1964) Phys. Rev. , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 12
    • 0042113153 scopus 로고
    • PRVAAH 0096-8250 10.1103/PhysRev.140.A1133
    • W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 22
    • 4243754961 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.31.5262
    • F. H. Stillinger and T. A. Weber, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.31.5262 31, 5262 (1985).
    • (1985) Phys. Rev. B , vol.31 , pp. 5262
    • Stillinger, F.H.1    Weber, T.A.2
  • 25
    • 0001741061 scopus 로고    scopus 로고
    • JCCHDD. 0192-8651. 10.1002/(SICI)1096-987X(199703)18:4<463::AID- JCC2>3.3.CO;2-P
    • U. Eichler, C. M. Kölmel, and J. Sauer, J. Comput. Chem. JCCHDD 0192-8651 10.1002/(SICI)1096-987X(199703)18:4<463::AID-JCC2>3.3.CO;2-P 18, 463 (1996).
    • (1996) J. Comput. Chem. , vol.18 , pp. 463
    • Eichler, U.1    Kölmel, C.M.2    Sauer, J.3
  • 28
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 29
    • 84966233568 scopus 로고
    • MCMPAF 0025-5718
    • A. Brandt, Math. Comput. MCMPAF 0025-5718 31, 333 (1977).
    • (1977) Math. Comput. , vol.31 , pp. 333
    • Brandt, A.1
  • 30
    • 18344384486 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.82.5016
    • T. Ono and K. Hirose, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.5016 82, 5016 (1999).
    • (1999) Phys. Rev. Lett. , vol.82 , pp. 5016
    • Ono, T.1    Hirose, K.2
  • 31
    • 11644266970 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1740588
    • R. S. Mulliken, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1740588 23, 1833 (1955).
    • (1955) J. Chem. Phys. , vol.23 , pp. 1833
    • Mulliken, R.S.1
  • 34
    • 35949006578 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.50.11996
    • F. H. Streitz and J. W. Mintmire, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.11996 50, 11996 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 11996
    • Streitz, F.H.1    Mintmire, J.W.2
  • 36
    • 25044480935 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.49.223
    • K. C. Pandey, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.49. 223 49, 223 (1982).
    • (1982) Phys. Rev. Lett. , vol.49 , pp. 223
    • Pandey, K.C.1
  • 37
    • 0037651836 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.473346
    • R. Konecny and D. J. Doren, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473346 106, 2426 (1997).
    • (1997) J. Chem. Phys. , vol.106 , pp. 2426
    • Konecny, R.1    Doren, D.J.2
  • 39
    • 0033319287 scopus 로고    scopus 로고
    • SUSCAS 0039-6028 10.1016/S0039-6028(99)00538-5
    • K. Akagi and M. Tsukada, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039- 6028(99)00538-5 438, 9 (1999).
    • (1999) Surf. Sci. , vol.438 , pp. 9
    • Akagi, K.1    Tsukada, M.2
  • 40
    • 4243434751 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.29.6974
    • Y. J. Chabal and S. B. Christman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.29.6974 29, 6974 (1984).
    • (1984) Phys. Rev. B , vol.29 , pp. 6974
    • Chabal, Y.J.1    Christman, S.B.2
  • 43
    • 0027553961 scopus 로고
    • SUSCAS. 0039-6028. 10.1016/0039-6028(93)90526-P
    • L. Andersohn and U. Köhler, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(93)90526-P 284, 77 (1993).
    • (1993) Surf. Sci. , vol.284 , pp. 77
    • Andersohn, L.1    Köhler, U.2


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