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Volumn 135, Issue 19, 2011, Pages

Dispersion interactions in density-functional theory: An adiabatic-connection analysis

Author keywords

[No Author keywords available]

Indexed keywords

DISPERSIONS; ELECTROMAGNETIC DISPERSION; NUMERICAL METHODS; QUANTUM CHEMISTRY;

EID: 81855213172     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3660357     Document Type: Article
Times cited : (27)

References (162)
  • 11
  • 25
    • 36149003114 scopus 로고
    • 10.1103/PhysRev.82.625
    • D. Bohm and D. Pines, Phys. Rev. 82, 625 (1951). 10.1103/PhysRev.82.625
    • (1951) Phys. Rev. , vol.82 , pp. 625
    • Bohm, D.1    Pines, D.2
  • 26
    • 36149023849 scopus 로고
    • 10.1103/PhysRev.85.338
    • D. Pines and D. Bohm, Phys. Rev. 85, 338 (1952). 10.1103/PhysRev.85.338
    • (1952) Phys. Rev. , vol.85 , pp. 338
    • Pines, D.1    Bohm, D.2
  • 27
    • 36149016376 scopus 로고
    • 10.1103/PhysRev.92.609
    • D. Bohm and D. Pines, Phys. Rev. 92, 609 (1953). 10.1103/PhysRev.92.609
    • (1953) Phys. Rev. , vol.92 , pp. 609
    • Bohm, D.1    Pines, D.2
  • 28
    • 0001745998 scopus 로고
    • 10.1103/PhysRev.92.626
    • D. Pines, Phys. Rev. 92, 626 (1953). 10.1103/PhysRev.92.626
    • (1953) Phys. Rev. , vol.92 , pp. 626
    • Pines, D.1
  • 29
    • 36149024009 scopus 로고
    • 10.1103/PhysRev.111.442
    • P. Noziéres and D. Pines, Phys. Rev. 111, 442 (1958). 10.1103/PhysRev.111.442
    • (1958) Phys. Rev. , vol.111 , pp. 442
    • Noziéres, P.1    Pines, D.2
  • 31
    • 0039168435 scopus 로고
    • 10.1016/0031-9163(65)90751-1
    • E. A. Sanderson, Phys. Lett. 19, 141 (1965). 10.1016/0031-9163(65)90751-1
    • (1965) Phys. Lett. , vol.19 , pp. 141
    • Sanderson, E.A.1
  • 32
    • 0000449024 scopus 로고
    • 10.1103/PhysRevB.15.5512
    • D. L. Freeman, Phys. Rev. B 15, 5512 (1977). 10.1103/PhysRevB.15.5512
    • (1977) Phys. Rev. B , vol.15 , pp. 5512
    • Freeman, D.L.1
  • 34
    • 0035891014 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.64.195120
    • F. Furche, Phys. Rev. B 64, 195120 (2001). 10.1103/PhysRevB.64.195120
    • (2001) Phys. Rev. B , vol.64 , pp. 195120
    • Furche, F.1
  • 37
    • 34547842230 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.76.075107
    • M. Hellgren and U. von Barth, Phys. Rev. B 76, 075107 (2007). 10.1103/PhysRevB.76.075107
    • (2007) Phys. Rev. B , vol.76 , pp. 075107
    • Hellgren, M.1    Von Barth, U.2
  • 38
    • 51649221491 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.78.115107
    • M. Hellgren and U. von Barth, Phys. Rev. B 78, 115107 (2008). 10.1103/PhysRevB.78.115107
    • (2008) Phys. Rev. B , vol.78 , pp. 115107
    • Hellgren, M.1    Von Barth, U.2
  • 39
    • 52349088658 scopus 로고    scopus 로고
    • 10.1063/1.2977789
    • F. Furche, J. Chem. Phys. 129, 114105 (2008). 10.1063/1.2977789
    • (2008) J. Chem. Phys. , vol.129 , pp. 114105
    • Furche, F.1
  • 41
    • 66649095078 scopus 로고    scopus 로고
    • 10.1103/PhysRevA.79.062502
    • P. Garca-Gonzlez, Phys. Rev. A 79, 062502 (2009). 10.1103/PhysRevA.79. 062502
    • (2009) Phys. Rev. A , vol.79 , pp. 062502
    • Garca-Gonzlez, P.1
  • 47
    • 77951125111 scopus 로고    scopus 로고
    • 10.1080/00268970903476662
    • A. Heelmann and A. Grling, Mol. Phys. 108, 359 (2010). 10.1080/00268970903476662
    • (2010) Mol. Phys. , vol.108 , pp. 359
    • Heelmann, A.1    Grling, A.2
  • 53
    • 0002061150 scopus 로고
    • edited by H. Ratajczak and W. J. Orville-Thomas (Wiley, New York)
    • B. Jeziorski and W. Kolos, in Molecular Interactions, edited by, H. Ratajczak, and, W. J. Orville-Thomas, (Wiley, New York, 1982), Vol. 3, p. 1.
    • (1982) Molecular Interactions , vol.3 , pp. 1
    • Jeziorski, B.1    Kolos, W.2
  • 57
    • 0037039459 scopus 로고    scopus 로고
    • 10.1063/1.1424928
    • Q. Wu and W. Yang, J. Chem. Phys. 116, 515 (2002). 10.1063/1.1424928
    • (2002) J. Chem. Phys. , vol.116 , pp. 515
    • Wu, Q.1    Yang, W.2
  • 60
  • 66
    • 4043164887 scopus 로고    scopus 로고
    • 10.1002/jcc.20078
    • S. Grimme, J. Comput. Chem. 25, 1463 (2004). 10.1002/jcc.20078
    • (2004) J. Comput. Chem. , vol.25 , pp. 1463
    • Grimme, S.1
  • 67
    • 33750559983 scopus 로고    scopus 로고
    • 10.1002/jcc.20495
    • S. Grimme, J. Comput. Chem. 27, 1787 (2006). 10.1002/jcc.20495
    • (2006) J. Comput. Chem. , vol.27 , pp. 1787
    • Grimme, S.1
  • 70
    • 33646768692 scopus 로고
    • 10.1007/BF01421741
    • F. London, Z. Phys. 63, 245 (1930). 10.1007/BF01421741
    • (1930) Z. Phys. , vol.63 , pp. 245
    • London, F.1
  • 74
    • 0003837363 scopus 로고
    • 10.1088/0022-3700/1/4/310
    • W. D. Davidson, J. Phys. B 1, 597 (1968). 10.1088/0022-3700/1/4/310
    • (1968) J. Phys. B , vol.1 , pp. 597
    • Davidson, W.D.1
  • 75
    • 36849104828 scopus 로고
    • 10.1063/1.1674403
    • H. L. Kramer, J. Chem. Phys. 53, 2783 (1970). 10.1063/1.1674403
    • (1970) J. Chem. Phys. , vol.53 , pp. 2783
    • Kramer, H.L.1
  • 80
    • 34250930798 scopus 로고
    • 10.1007/BF01329203
    • P. Ehrenfest, Z. Phys. 45, 455 (1927). 10.1007/BF01329203
    • (1927) Z. Phys. , vol.45 , pp. 455
    • Ehrenfest, P.1
  • 83
    • 34547564932 scopus 로고
    • 10.1103/PhysRev.56.340
    • R. P. Feynman, Phys. Rev. 56, 340 (1939). 10.1103/PhysRev.56.340
    • (1939) Phys. Rev. , vol.56 , pp. 340
    • Feynman, R.P.1
  • 85
    • 36749107184 scopus 로고
    • 10.1063/1.444577
    • K. L. C. Hunt, J. Chem. Phys. 78, 6149 (1983). 10.1063/1.444577
    • (1983) J. Chem. Phys. , vol.78 , pp. 6149
    • Hunt, K.L.C.1
  • 86
    • 0037425937 scopus 로고    scopus 로고
    • 10.1063/1.1535422
    • Q. Wu and W. Yang, J. Chem. Phys. 118, 2498 (2003). 10.1063/1.1535422
    • (2003) J. Chem. Phys. , vol.118 , pp. 2498
    • Wu, Q.1    Yang, W.2
  • 87
    • 84990669494 scopus 로고
    • 10.1002/qua.560240302
    • E. H. Lieb, Int. J. Quantum Chem. 24, 243 (1983). 10.1002/qua.560240302
    • (1983) Int. J. Quantum Chem. , vol.24 , pp. 243
    • Lieb, E.H.1
  • 93
    • 36849104018 scopus 로고
    • 10.1063/1.1701524
    • A. A. Frost, J. Chem. Phys. 47, 3707 (1967). 10.1063/1.1701524
    • (1967) J. Chem. Phys. , vol.47 , pp. 3707
    • Frost, A.A.1
  • 94
    • 0039044740 scopus 로고
    • 10.1016/0009-2614(79)80420-0
    • H. Huber, Chem. Phys. Lett. 62, 95 (1979). 10.1016/0009-2614(79)80420-0
    • (1979) Chem. Phys. Lett. , vol.62 , pp. 95
    • Huber, H.1
  • 95
    • 0039636779 scopus 로고
    • 10.1016/0009-2614(80)85349-8
    • H. Huber, Chem. Phys. Lett. 70, 353 (1980). 10.1016/0009-2614(80)85349-8
    • (1980) Chem. Phys. Lett. , vol.70 , pp. 353
    • Huber, H.1
  • 96
    • 0007664766 scopus 로고
    • 10.1007/BF00576956
    • H. Huber, Theor. Chim. Acta 55, 117 (1980). 10.1007/BF00576956
    • (1980) Theor. Chim. Acta , vol.55 , pp. 117
    • Huber, H.1
  • 97
    • 0002314506 scopus 로고
    • 10.1016/0166-1280(81)85004-X
    • H. Huber, J. Mol. Struct.: THEOCHEM 76, 277 (1981). 10.1016/0166-1280(81) 85004-X
    • (1981) J. Mol. Struct.: THEOCHEM , vol.76 , pp. 277
    • Huber, H.1
  • 98
    • 0003158446 scopus 로고
    • 10.1002/jcc.540090110
    • A. C. Hurley, J. Comput. Chem. 9, 75 (1988). 10.1002/jcc.540090110
    • (1988) J. Comput. Chem. , vol.9 , pp. 75
    • Hurley, A.C.1
  • 100
    • 84986435692 scopus 로고
    • 10.1002/jcc.540130408
    • K. Hirao and K. Mogi, J. Comput Chem. 13, 457 (1992). 10.1002/jcc.540130408
    • (1992) J. Comput Chem. , vol.13 , pp. 457
    • Hirao, K.1    Mogi, K.2
  • 105
    • 0004699251 scopus 로고    scopus 로고
    • edited by P. von Ragué Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (Wiley, Chichester)
    • T. Helgaker, in The Encyclopedia of Computational Chemistry, edited by, P. von Ragué Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and, P. R. Schreiner, (Wiley, Chichester, 1998), p. 1157.
    • (1998) The Encyclopedia of Computational Chemistry , pp. 1157
    • Helgaker, T.1
  • 107
    • 81855195164 scopus 로고    scopus 로고
    • DALTON, release 2.0, a molecular electronic structure program, see.
    • DALTON, release 2.0, a molecular electronic structure program, 2005, see http://www.kjemi.uio.no/software/dalton/dalton.html.
    • (2005)
  • 108
    • 33746614482 scopus 로고
    • 10.1063/1.456153
    • T. H. Dunning, J. Chem. Phys. 90, 1007 (1989). 10.1063/1.456153
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007
    • Dunning, T.H.1
  • 111
    • 0042113153 scopus 로고
    • 10.1103/PhysRev.140.A1133
    • W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 114
    • 36149005506 scopus 로고
    • 10.1103/PhysRev.90.317
    • R. T. Sharp and G. K. Horton, Phys. Rev. 90, 317 (1953). 10.1103/PhysRev.90.317
    • (1953) Phys. Rev. , vol.90 , pp. 317
    • Sharp, R.T.1    Horton, G.K.2
  • 116
    • 84890021933 scopus 로고
    • 10.1080/00268977000101561
    • S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970). 10.1080/00268977000101561
    • (1970) Mol. Phys. , vol.19 , pp. 553
    • Boys, S.F.1    Bernardi, F.2
  • 118
    • 6144260420 scopus 로고
    • 10.1103/PhysRevA.50.3827
    • C. J. Umrigar and X. Gonze, Phys. Rev. A 50, 3827 (1994). 10.1103/PhysRevA.50.3827
    • (1994) Phys. Rev. A , vol.50 , pp. 3827
    • Umrigar, C.J.1    Gonze, X.2
  • 125
    • 37549023404 scopus 로고    scopus 로고
    • 10.1063/1.2821122
    • D. P. Joubert, J. Chem. Phys. 127, 244104 (2007). 10.1063/1.2821122
    • (2007) J. Chem. Phys. , vol.127 , pp. 244104
    • Joubert, D.P.1
  • 131
    • 0001615884 scopus 로고
    • 10.1103/PhysRevA.33.804
    • A. C. Pedroza, Phys. Rev. A 33, 804 (1986). 10.1103/PhysRevA.33.804
    • (1986) Phys. Rev. A , vol.33 , pp. 804
    • Pedroza, A.C.1
  • 133
    • 0000758517 scopus 로고
    • 10.1103/PhysRevA.39.992
    • Y. Li and J. B. Krieger, Phys. Rev. A 39, 992 (1989). 10.1103/PhysRevA.39.992
    • (1989) Phys. Rev. A , vol.39 , pp. 992
    • Li, Y.1    Krieger, J.B.2
  • 140
    • 35949004857 scopus 로고
    • 10.1103/PhysRevB.47.13105
    • A. Grling and M. Levy, Phys. Rev. B 47, 13105 (1993). 10.1103/PhysRevB.47.13105
    • (1993) Phys. Rev. B , vol.47 , pp. 13105
    • Grling, A.1    Levy, M.2
  • 141
    • 26544475305 scopus 로고
    • 10.1103/PhysRevA.50.196
    • A. Grling and M. Levy, Phys. Rev. A 50, 196 (1994). 10.1103/PhysRevA.50. 196
    • (1994) Phys. Rev. A , vol.50 , pp. 196
    • Grling, A.1    Levy, M.2
  • 143
    • 4243553426 scopus 로고
    • 10.1103/PhysRevA.38.3098
    • A. D. Becke, Phys. Rev. A 38, 3098 (1988). 10.1103/PhysRevA.38.3098
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 144
  • 146
    • 22244434357 scopus 로고
    • edited by R. Erdahl and V. H. Smith (Reidel, Dordrecht, Holland)
    • W. Yang, in Density Matrices and Density-Functionals, edited by, R. Erdahl, and, V. H. Smith, (Reidel, Dordrecht, Holland, 1987), p. 499.
    • (1987) Density Matrices and Density-Functionals , pp. 499
    • Yang, W.1
  • 148
    • 0001713395 scopus 로고
    • 10.1103/PhysRevA.32.2010
    • M. Levy and J. P. Perdew, Phys. Rev. A 32, 2010 (1985). 10.1103/PhysRevA.32.2010
    • (1985) Phys. Rev. A , vol.32 , pp. 2010
    • Levy, M.1    Perdew, J.P.2
  • 154
    • 26444488147 scopus 로고    scopus 로고
    • 10.1016/j.cplett.2005.08.060
    • I. C. Gerber and J. G. ngyn, Chem. Phys. Lett. 415, 100 (2005). 10.1016/j.cplett.2005.08.060
    • (2005) Chem. Phys. Lett. , vol.415 , pp. 100
    • Gerber, I.C.1    Ngyn, J.G.2
  • 158
    • 70349748795 scopus 로고    scopus 로고
    • 10.1016/j.theochem.2009.08.018
    • M. E. Casida, J. Mol. Struct.: THEOCHEM 914, 3 (2009). 10.1016/j.theochem.2009.08.018
    • (2009) J. Mol. Struct.: THEOCHEM , vol.914 , pp. 3
    • Casida, M.E.1
  • 161
    • 3743082208 scopus 로고
    • 10.1103/PhysRevA.27.632
    • J. E. Harriman, Phys. Rev. A 27, 632 (1983). 10.1103/PhysRevA.27.632
    • (1983) Phys. Rev. A , vol.27 , pp. 632
    • Harriman, J.E.1
  • 162
    • 0002791293 scopus 로고
    • 10.1103/PhysRevA.34.29
    • J. E. Harriman, Phys. Rev. A 34, 29 (1986). 10.1103/PhysRevA.34.29
    • (1986) Phys. Rev. A , vol.34 , pp. 29
    • Harriman, J.E.1


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