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Volumn 89, Issue 3, 2014, Pages

Exchange functional that tests the robustness of the plasmon description of the van der Waals density functional

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EID: 84893082975     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.89.035412     Document Type: Article
Times cited : (540)

References (80)
  • 1
    • 0035891306 scopus 로고    scopus 로고
    • Towards extending the applicability of density functional theory to weakly bound systems
    • DOI 10.1063/1.1412004
    • X. Wu, M. C. Vargas, S. Nayak, V. Lotrich, and G. Scoles, J. Chem. Phys. 115, 8748 (2001). JCPSA6 0021-9606 10.1063/1.1412004 (Pubitemid 33102901)
    • (2001) Journal of Chemical Physics , vol.115 , Issue.19 , pp. 8748-8757
    • Wu, X.1    Vargas, M.C.2    Nayak, S.3    Lotrich, V.4    Scoles, G.5
  • 2
    • 4043164887 scopus 로고    scopus 로고
    • JCCHDD 0192-8651 10.1002/jcc.20078
    • S. Grimme, J. Comput. Chem. 25, 1463 (2004). JCCHDD 0192-8651 10.1002/jcc.20078
    • (2004) J. Comput. Chem. , vol.25 , pp. 1463
    • Grimme, S.1
  • 3
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-type density functional constructed with a long-range dispersion correction
    • DOI 10.1002/jcc.20495
    • S. Grimme, J. Comput. Chem. 27, 1787 (2006). JCCHDD 0192-8651 10.1002/jcc.20495 (Pubitemid 44672561)
    • (2006) Journal of Computational Chemistry , vol.27 , Issue.15 , pp. 1787-1799
    • Grimme, S.1
  • 5
    • 28344439628 scopus 로고    scopus 로고
    • A density-functional model of the dispersion interaction
    • DOI 10.1063/1.2065267, 154101
    • A. D. Becke and E. R. Johnson, J. Chem. Phys. 123, 154101 (2005). JCPSA6 0021-9606 10.1063/1.2065267 (Pubitemid 41716911)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.15 , pp. 1-9
    • Becke, A.D.1    Johnson, E.R.2
  • 6
    • 34547554568 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2190220
    • E. R. Johnson and A. D. Becke, J. Chem. Phys. 124, 174104 (2006). JCPSA6 0021-9606 10.1063/1.2190220
    • (2006) J. Chem. Phys. , vol.124 , pp. 174104
    • Johnson, E.R.1    Becke, A.D.2
  • 7
    • 38949121770 scopus 로고    scopus 로고
    • Van der Waals interactions in DFT made easy by wannier dunctions
    • DOI 10.1103/PhysRevLett.100.053002
    • P. L. Silvestrelli, Phys. Rev. Lett. 100, 053002 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.100.053002 (Pubitemid 351230706)
    • (2008) Physical Review Letters , vol.100 , Issue.5 , pp. 053002
    • Silvestrelli, P.L.1
  • 9
    • 61349180195 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.102.073005
    • A. Tkatchenko and M. Scheffler, Phys. Rev. Lett. 102, 073005 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.102.073005
    • (2009) Phys. Rev. Lett. , vol.102 , pp. 073005
    • Tkatchenko, A.1    Scheffler, M.2
  • 10
    • 25544474582 scopus 로고
    • 0556-2805 10.1103/PhysRevB.13.4274
    • O. Gunnarsson and B. I. Lundqvist, Phys. Rev. B 13, 4274 (1976). 0556-2805 10.1103/PhysRevB.13.4274
    • (1976) Phys. Rev. B , vol.13 , pp. 4274
    • Gunnarsson, O.1    Lundqvist, B.I.2
  • 11
    • 14344278811 scopus 로고
    • 0556-2805 10.1103/PhysRevB.15.2884
    • D. C. Langreth and J. P. Perdew, Phys. Rev. B 15, 2884 (1977). 0556-2805 10.1103/PhysRevB.15.2884
    • (1977) Phys. Rev. B , vol.15 , pp. 2884
    • Langreth, D.C.1    Perdew, J.P.2
  • 12
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 19
    • 0000352612 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.76.1780
    • J. F. Dobson and B. P. Dinte, Phys. Rev. Lett. 76, 1780 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.76.1780
    • (1996) Phys. Rev. Lett. , vol.76 , pp. 1780
    • Dobson, J.F.1    Dinte, B.P.2
  • 22
    • 38849107422 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.77.045136
    • J. Harl and G. Kresse, Phys. Rev. B 77, 045136 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.77.045136
    • (2008) Phys. Rev. B , vol.77 , pp. 045136
    • Harl, J.1    Kresse, G.2
  • 28
    • 79961122453 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.83.165423
    • J. Rohrer and P. Hyldgaard, Phys. Rev. B 83, 165423 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.165423
    • (2011) Phys. Rev. B , vol.83 , pp. 165423
    • Rohrer, J.1    Hyldgaard, P.2
  • 29
    • 77957372638 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.82.054116
    • E. Londero and E. Schröder, Phys. Rev. B 82, 054116 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.054116
    • (2010) Phys. Rev. B , vol.82 , pp. 054116
    • Londero, E.1    Schröder, E.2
  • 30
    • 72449171692 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.80.155431
    • K. Berland, T. L. Einstein, and P. Hyldgaard, Phys. Rev. B 80, 155431 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.80.155431
    • (2009) Phys. Rev. B , vol.80 , pp. 155431
    • Berland, K.1    Einstein, T.L.2    Hyldgaard, P.3
  • 31
    • 78149266096 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.82.155461
    • K. Lee, Y. Morikawa, and D. C. Langreth, Phys. Rev. B 82, 155461 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.155461
    • (2010) Phys. Rev. B , vol.82 , pp. 155461
    • Lee, K.1    Morikawa, Y.2    Langreth, D.C.3
  • 34
    • 62549107034 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.3079684
    • O. A. Vydrov and T. Van Voorhis, J. Chem. Phys. 130, 104105 (2009). JCPSA6 0021-9606 10.1063/1.3079684
    • (2009) J. Chem. Phys. , vol.130 , pp. 104105
    • Vydrov, O.A.1    Van Voorhis, T.2
  • 35
    • 68749098493 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.103.063004
    • O. A. Vydrov and T. Van Voorhis, Phys. Rev. Lett. 103, 063004 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.103.063004
    • (2009) Phys. Rev. Lett. , vol.103 , pp. 063004
    • Vydrov, O.A.1    Van Voorhis, T.2
  • 36
    • 78650908745 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.3521275
    • O. A. Vydrov and T. Van Voorhis, J. Chem. Phys. 133, 244103 (2010). JCPSA6 0021-9606 10.1063/1.3521275
    • (2010) J. Chem. Phys. , vol.133 , pp. 244103
    • Vydrov, O.A.1    Van Voorhis, T.2
  • 37
    • 84867469652 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.86.165109
    • T. Björkman, Phys. Rev. B 86, 165109 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.86.165109
    • (2012) Phys. Rev. B , vol.86 , pp. 165109
    • Björkman, T.1
  • 39
    • 84860123425 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.4704546
    • K. Burke, J. Chem. Phys. 136, 150901 (2012). JCPSA6 0021-9606 10.1063/1.4704546
    • (2012) J. Chem. Phys. , vol.136 , pp. 150901
    • Burke, K.1
  • 40
    • 85029400214 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.80.890
    • Y. Zhang and W. Yang, Phys. Rev. Lett. 80, 890 (1998). PRLTAO 0031-9007 10.1103/PhysRevLett.80.890
    • (1998) Phys. Rev. Lett. , vol.80 , pp. 890
    • Zhang, Y.1    Yang, W.2
  • 41
    • 77955383468 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.81.161104
    • V. R. Cooper, Phys. Rev. B 81, 161104 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.81.161104
    • (2010) Phys. Rev. B , vol.81 , pp. 161104
    • Cooper, V.R.1
  • 43
    • 79960645403 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.83.195131
    • J. Klimeš, D. R. Bowler, and A. Michaelides, Phys. Rev. B 83, 195131 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.195131
    • (2011) Phys. Rev. B , vol.83 , pp. 195131
    • Klimeš, J.1    Bowler, D.R.2    Michaelides, A.3
  • 44
    • 67049172327 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.79.201105
    • A. Gulans, M. J. Puska, and R. M. Nieminen, Phys. Rev. B 79, 201105 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.79.201105
    • (2009) Phys. Rev. B , vol.79 , pp. 201105
    • Gulans, A.1    Puska, M.J.2    Nieminen, R.M.3
  • 46
    • 79961224950 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.83.245437
    • I. Hamada and M. Tsukada, Phys. Rev. B 83, 245437 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.245437
    • (2011) Phys. Rev. B , vol.83 , pp. 245437
    • Hamada, I.1    Tsukada, M.2
  • 48
    • 0242707295 scopus 로고
    • 9780-1203 10.1016/S0065-3276(08)60597-3
    • D. C. Langreth and S. Vosko, Adv. Quantum. Chem. 21, 175 (1990). 9780-1203 10.1016/S0065-3276(08)60597-3
    • (1990) Adv. Quantum. Chem. , vol.21 , pp. 175
    • Langreth, D.C.1    Vosko, S.2
  • 49
    • 70350648863 scopus 로고    scopus 로고
    • CJCHAG 0008-4042 10.1139/V09-095
    • P. Elliott and K. Burke, Can. J. Chem. 87, 1485 (2009). CJCHAG 0008-4042 10.1139/V09-095
    • (2009) Can. J. Chem. , vol.87 , pp. 1485
    • Elliott, P.1    Burke, K.2
  • 50
    • 18144378706 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.33.8800
    • J. P. Perdew and Y. Wang, Phys. Rev. B 33, 8800 (1986). PRBMDO 0163-1829 10.1103/PhysRevB.33.8800
    • (1986) Phys. Rev. B , vol.33 , pp. 8800
    • Perdew, J.P.1    Wang, Y.2
  • 55
    • 77953950028 scopus 로고    scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.81.062708
    • O. A. Vydrov and T. Van Voorhis, Phys. Rev. A 81, 062708 (2010). PLRAAN 1050-2947 10.1103/PhysRevA.81.062708
    • (2010) Phys. Rev. A , vol.81 , pp. 062708
    • Vydrov, O.A.1    Van Voorhis, T.2
  • 57
    • 84877900276 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.87.205421
    • K. Berland and P. Hyldgaard, Phys. Rev. B 87, 205421 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.205421
    • (2013) Phys. Rev. B , vol.87 , pp. 205421
    • Berland, K.1    Hyldgaard, P.2
  • 59
    • 79958164925 scopus 로고    scopus 로고
    • CPHCBZ 0010-4655 10.1016/j.cpc.2010.12.036
    • E. Londero and E. Schröder, Comput. Phys. Commun. 182, 1805 (2011). CPHCBZ 0010-4655 10.1016/j.cpc.2010.12.036
    • (2011) Comput. Phys. Commun. , vol.182 , pp. 1805
    • Londero, E.1    Schröder, E.2
  • 60
    • 77749301583 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.104.099303
    • D. C. Langreth and B. I. Lundqvist, Phys. Rev. Lett. 104, 099303 (2010). PRLTAO 0031-9007 10.1103/PhysRevLett.104.099303
    • (2010) Phys. Rev. Lett. , vol.104 , pp. 099303
    • Langreth, D.C.1    Lundqvist, B.I.2
  • 61
    • 77954603797 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.3366652
    • K. Berland and P. Hyldgaard, J. Chem. Phys. 132, 134705 (2010). JCPSA6 0021-9606 10.1063/1.3366652
    • (2010) J. Chem. Phys. , vol.132 , pp. 134705
    • Berland, K.1    Hyldgaard, P.2
  • 64
    • 69449093005 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.103.096102
    • G. Román-Pérez and J. M. Soler, Phys. Rev. Lett. 103, 096102 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.103.096102
    • (2009) Phys. Rev. Lett. , vol.103 , pp. 096102
    • Román-Pérez, G.1    Soler, J.M.2
  • 66
    • 61549134825 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.79.085104
    • P. Haas, F. Tran, and P. Blaha, Phys. Rev. B 79, 085104 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.79.085104
    • (2009) Phys. Rev. B , vol.79 , pp. 085104
    • Haas, P.1    Tran, F.2    Blaha, P.3
  • 68
    • 0015111258 scopus 로고
    • PSSABA 0031-8965 10.1002/pssa.2210060227
    • G. Cordoba and C. R. Brooks, Phys. Status Solidi A 6, 581 (1971). PSSABA 0031-8965 10.1002/pssa.2210060227
    • (1971) Phys. Status Solidi A , vol.6 , pp. 581
    • Cordoba, G.1    Brooks, C.R.2
  • 69
    • 18644386773 scopus 로고    scopus 로고
    • Effective elastic stiffnesses of InAs under uniform strain
    • DOI 10.1063/1.1500421
    • S. W. Ellaway and D. A. Faux, J. Appl. Phys. 92, 3027 (2002). JAPIAU 0021-8979 10.1063/1.1500421 (Pubitemid 35209229)
    • (2002) Journal of Applied Physics , vol.92 , Issue.6 , pp. 3027
    • Ellaway, S.W.1    Faux, D.A.2
  • 70
    • 33750575947 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.42.8651
    • Y. K. Vohra and A. L. Ruoff, Phys. Rev. B 42, 8651 (1990). PRBMDO 0163-1829 10.1103/PhysRevB.42.8651
    • (1990) Phys. Rev. B , vol.42 , pp. 8651
    • Vohra, Y.K.1    Ruoff, A.L.2
  • 71
    • 36149028236 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.100.544
    • Y. Baskin and L. Meyer, Phys. Rev. 100, 544 (1955). PHRVAO 0031-899X 10.1103/PhysRev.100.544
    • (1955) Phys. Rev. , vol.100 , pp. 544
    • Baskin, Y.1    Meyer, L.2
  • 73
    • 42749102313 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.69.155406
    • R. Zacharia, H. Ulbricht, and T. Hertel, Phys. Rev. B 69, 155406 (2004). PRBMDO 1098-0121 10.1103/PhysRevB.69.155406
    • (2004) Phys. Rev. B , vol.69 , pp. 155406
    • Zacharia, R.1    Ulbricht, H.2    Hertel, T.3
  • 76
    • 0023436877 scopus 로고
    • Crystal structures of tungsten disulfide and diselenide
    • DOI 10.1016/0022-4596(87)90057-0
    • W. Schutte, J. D. Boer, and F. Jellinek, J. Solid State Chem. 70, 207 (1987). JSSCBI 0022-4596 10.1016/0022-4596(87)90057-0 (Pubitemid 18518122)
    • (1987) Journal of Solid State Chemistry , vol.70 , Issue.2 , pp. 207-209
    • Schutte, W.J.1    De Boer, J.L.2    Jellinek, F.3
  • 77
    • 0001167227 scopus 로고
    • ACCRA9 0365-110X 10.1107/S0365110X61003892
    • J. Leciejewicz, Acta Crystallogr. 14, 1304 (1961). ACCRA9 0365-110X 10.1107/S0365110X61003892
    • (1961) Acta Crystallogr. , vol.14 , pp. 1304
    • Leciejewicz, J.1
  • 80
    • 70450064260 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.103.196401
    • L. Spanu, S. Sorella, and G. Galli, Phys. Rev. Lett. 103, 196401 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.103.196401
    • (2009) Phys. Rev. Lett. , vol.103 , pp. 196401
    • Spanu, L.1    Sorella, S.2    Galli, G.3


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