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Volumn 135, Issue 9, 2011, Pages

Long-range-corrected hybrids using a range-separated Perdew-Burke-Ernzerhof functional and random phase approximation correlation

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL APPROXIMATIONS; EXCELLENT PERFORMANCE; GENERALIZED GRADIENT APPROXIMATIONS; LOCAL DENSITY; PERDEW-BURKE-ERNZERHOF; RANDOM PHASE APPROXIMATIONS; SECOND ORDERS; VAN DER WAALS INTERACTIONS;

EID: 80052808145     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3630951     Document Type: Article
Times cited : (38)

References (57)
  • 1
    • 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
  • 2
    • 21244505043 scopus 로고    scopus 로고
    • Fluctuation-dissipation theorem density-functional theory
    • DOI 10.1063/1.1884112, 164106
    • F. Furche and T. Van Voorhis, J. Chem. Phys. 122, 164106 (2005). 10.1063/1.1884112 (Pubitemid 40890442)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.16 , pp. 1-10
    • Furche, F.1    Van Voorhis, T.2
  • 4
    • 68649092014 scopus 로고    scopus 로고
    • 10.1103/PhysRevLett.103.056401
    • J. Harl and G. Kresse, Phys. Rev. Lett. 103, 056401 (2009). 10.1103/PhysRevLett.103.056401
    • (2009) Phys. Rev. Lett. , vol.103 , pp. 056401
    • Harl, J.1    Kresse, G.2
  • 15
    • 38849107422 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.77.045136
    • J. Harl and G. Kresse, Phys. Rev. B 77, 045136 (2008). 10.1103/PhysRevB.77.045136
    • (2008) Phys. Rev. B , vol.77 , pp. 045136
    • Harl, J.1    Kresse, G.2
  • 16
    • 58149512234 scopus 로고    scopus 로고
    • 10.1103/PhysRevLett.101.266106
    • M. Rohlfing and T. Bredow, Phys. Rev. Lett. 101, 266106 (2008). 10.1103/PhysRevLett.101.266106
    • (2008) Phys. Rev. Lett. , vol.101 , pp. 266106
    • Rohlfing, M.1    Bredow, T.2
  • 17
  • 19
  • 27
    • 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
  • 29
    • 78449276564 scopus 로고    scopus 로고
    • 10.1080/00268976.2010.507227
    • T. M. Henderson and G. E. Scuseria, Mol. Phys. 108, 2511 (2010). 10.1080/00268976.2010.507227
    • (2010) Mol. Phys. , vol.108 , pp. 2511
    • Henderson, T.M.1    Scuseria, G.E.2
  • 30
    • 28844476569 scopus 로고    scopus 로고
    • A short-range gradient-corrected density functional in long-range coupled-cluster calculations for rare gas dimers
    • DOI 10.1039/b509242f
    • E. Goll, H.-J. Werner, and H. Stoll, Phys. Chem. Chem. Phys. 7, 3917 (2005). 10.1039/b509242f (Pubitemid 41771859)
    • (2005) Physical Chemistry Chemical Physics , vol.7 , Issue.23 , pp. 3917-3923
    • Goll, E.1    Werner, H.-J.2    Stoll, H.3
  • 41
    • 0002293527 scopus 로고
    • in, edited by R. Dreizler and J. da Providencia (Plenum, New York)
    • H. Stoll and A. Savin, in Density Functional Methods in Physics, edited by, R. Dreizler, and, J. da Providencia, (Plenum, New York, 1985), p. 177.
    • (1985) Density Functional Methods in Physics , pp. 177
    • Stoll, H.1    Savin, A.2
  • 44
    • 0035934184 scopus 로고    scopus 로고
    • A long-range correction scheme for generalized-gradient-approximation exchange functionals
    • DOI 10.1063/1.1383587
    • H. Iikura, T. Tsuneda, T. Yanai, and K. Hirao, J. Chem. Phys. 115, 3540 (2001). 10.1063/1.1383587 (Pubitemid 32795665)
    • (2001) Journal of Chemical Physics , vol.115 , Issue.8 , pp. 3540-3544
    • Iikura, H.1    Tsuneda, T.2    Yanai, T.3    Hirao, K.4
  • 46
    • 34547139312 scopus 로고    scopus 로고
    • Erratum: Hybrid functionals based on a screened Coulomb potential (Journal of Chemical Physics (2003) 118 (8207))
    • DOI 10.1063/1.2204597
    • J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 124, 219906(E) (2006). 10.1063/1.2204597 (Pubitemid 43877849)
    • (2006) Journal of Chemical Physics , vol.124 , Issue.21 , pp. 219906
    • Heyd, J.1    Scuseria, G.E.2    Ernzerhof, M.3
  • 48
    • 33847723037 scopus 로고    scopus 로고
    • London dispersion forces by range-separated hybrid density functional with second order perturbational corrections: The case of rare gas complexes
    • DOI 10.1063/1.2431644
    • I. C. Gerber and J. G. ngyn, J. Chem. Phys. 126, 044103 (2007). 10.1063/1.2431644 (Pubitemid 46372678)
    • (2007) Journal of Chemical Physics , vol.126 , Issue.4 , pp. 044103
    • Gerber, I.C.1    Angyan, J.G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.