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Volumn 42, Issue , 2003, Pages 35-66

Toward structure-function relations - A hybrid quantum/classical approach

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EID: 0037956273     PISSN: 00653276     EISSN: None     Source Type: Book Series    
DOI: 10.1016/s0065-3276(03)42040-6     Document Type: Article
Times cited : (2)

References (106)
  • 1
    • 85112885394 scopus 로고
    • J.C. Slater The Self-Consistent Field for Molecules and Solids Vol. 4 1974 McGraw-Hill New York
    • (1974)
    • Slater, J.C.1
  • 2
    • 85112917565 scopus 로고
    • J. Callaway N.H. March H. Ehrenreich D. Turnbull Solid State Physics 1984 Academic Press New York
    • (1984)
    • Callaway, J.1    March, N.H.2
  • 3
    • 0003569570 scopus 로고
    • Density Functional Theory of Atoms and Molecules
    • R.G. Parr W. Yang Density Functional Theory of Atoms and Molecules 1989 Oxford University Press New York
    • (1989)
    • Parr, R.G.1    Yang, W.2
  • 4
    • 0003560924 scopus 로고
    • Density Functional Theory of Many-Electron Systems
    • E.S. Kryachko E. Ludena Density Functional Theory of Many-Electron Systems 1990 Kluwer Academic Dordrecht
    • (1990)
    • Kryachko, E.S.1    Ludena, E.2
  • 5
    • 85112945210 scopus 로고
    • D.E. Ellis Density Functional Theory of Molecules, Clusters and Solids 1995 Kluwer Academic Dordrecht
    • (1995)
  • 8
    • 85112954121 scopus 로고
    • W. Wang Z. Zhou D.E. Ellis Density Functional Theory of Molecules, Clusters, and Solids 1995 Kluwer Academic Dordrecht 177
    • (1995) , pp. 177
    • Wang, W.1    Zhou, Z.2
  • 13
    • 85112912264 scopus 로고
    • T.L. Windus M.W. Schmidt M.S. Gordon R.J. Kalia P. Vashishta Toward Teraflop Computing and New Grand Challenge Applications 1995 Nova Science Publisher New York 189
    • (1995) , pp. 189
    • Windus, T.L.1    Schmidt, M.W.2    Gordon, M.S.3
  • 17
    • 85112942197 scopus 로고    scopus 로고
    • D.E. Ellis K. Mundim V.P. Dravid J.W. Rylander A. Pechenik R.K. Kalia P. Vashishta Computer Aided Design of High Temperature Materials 1999 Oxford University Press Oxford 350
    • (1999) , pp. 350
    • Ellis, D.E.1    Mundim, K.2    Dravid, V.P.3    Rylander, J.W.4
  • 50
    • 0003922821 scopus 로고    scopus 로고
    • Ligand Field Theory and Its Applications
    • B.N. Figgis M.A. Hitchman Ligand Field Theory and Its Applications 1999 Wiley New York
    • (1999)
    • Figgis, B.N.1    Hitchman, M.A.2
  • 51
    • 85112933944 scopus 로고
    • F.A. Cotton Chemical Applications of Group Theory 3rd Edn 1990 Wiley New York 287
    • (1990) , pp. 287
    • Cotton, F.A.1
  • 55
    • 85112926533 scopus 로고
    • D.E. Ellis J. Guo D.E. Ellis Electronic Density Functional Theory of Molecules, Clusters, and Solids 1995 Kluwer Dordrecht p263
    • (1995) , pp. p263
    • Ellis, D.E.1    Guo, J.2
  • 63
    • 85112900501 scopus 로고
    • G. Ciccotti D. Frenkel I.R. McDonald Simulation of Liquids and Solids 1987 North-Holland Amsterdam
    • (1987)
  • 64
    • 0003451443 scopus 로고
    • Computer Simulation of Liquids
    • M.P. Allen D.J. Tildesley Computer Simulation of Liquids 1987 Clarendon Press Oxford
    • (1987)
    • Allen, M.P.1    Tildesley, D.J.2
  • 65
    • 85112869756 scopus 로고
    • F. Yonesawa Molecular Dynamics Simulations 1992 Springer-Verlag Berlin
    • (1992)
  • 68
    • 0004147488 scopus 로고
    • Monte Carlo Simulation in Statistical Physics
    • K. Binder D.E. Heermann Monte Carlo Simulation in Statistical Physics 1988 Springer-Verlag Berlin
    • (1988)
    • Binder, K.1    Heermann, D.E.2
  • 72
    • 85112959050 scopus 로고    scopus 로고
    • M.Z. Bazant E. Kaxiras E. Kaxiras J. Joannopoulas P. Vashishta R. Kalia “Materials Theory, Simulations, and Parallel Algorithms”, MRS Proceedings Vol. 48 1996 Mater. Res. Soc., Pittsburgh
    • (1996)
    • Bazant, M.Z.1    Kaxiras, E.2
  • 80
    • 85112939980 scopus 로고
    • D.E. Ellis D.E. Ellis Density Functional Theory of Molecules, Clusters and Solids 1995 Kluwer Academic Dordrecht p168
    • (1995) , pp. p168
    • Ellis, D.E.1
  • 94
    • 85112880482 scopus 로고    scopus 로고
    • O. Warschkow, D. E. Ellis, J._H. Hwang, N. Mansourian-Hadavi and T. O. Mason, J. Am. Ceram. Soc. (to be published).
  • 96
    • 85112902265 scopus 로고    scopus 로고
    • B.D. Ratner A.S. Hoffman F.J. Schoen J.E. Lemons Biomaterials Science 1996 Academic Press San Diego
    • (1996)
  • 98
    • 85112881590 scopus 로고    scopus 로고
    • J. Terra, M. Jiang, and D.E. Ellis, Philos. Mag. A (to be published).
  • 99
    • 85112887040 scopus 로고
    • R. Prins D. Koningsberger X-Ray Absorption: Principles, Applications, Techniques of EXAFS, SEXAFS and XANES 1988 Wiley New York
    • (1988)
  • 100
    • 0004237782 scopus 로고
    • NEXAFS Spectroscopy
    • J. Stöhr NEXAFS Spectroscopy 1992 Springer-Verlay Berlin
    • (1992)
    • Stöhr, J.1
  • 102
    • 85112946424 scopus 로고
    • G. Materlik C.J. Sparks K. Fischer Resonant Anomalous X-Ray Scattering: Theory and Applications 1994 North Holland Amsterdam
    • (1994)
  • 103
    • 85112919027 scopus 로고    scopus 로고
    • P.D. Nellis S.J. Pennycook G.W. Bailey Proc. Microscopy and Microsnalysis '97 Cleveland, OH Microscopy and Microanalysis 3 1997 Springer New York 1149 (suppl. 2)
    • (1997) , pp. 1149
    • Nellis, P.D.1    Pennycook, S.J.2
  • 106
    • 85112929029 scopus 로고    scopus 로고
    • M. Jiang, D.E. Ellis, and J. Terra (unpublished).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.