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Volumn 103, Issue 5, 2009, Pages

Accurate bulk properties from approximate many-body techniques

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; ADSORPTION ENERGIES; ATOMIZATION ENERGIES; BONDED SYSTEMS; BULK PROPERTIES; CORRELATION ENERGY; DENSITY FUNCTIONAL THEORY CALCULATIONS; EXACT EXCHANGE ENERGIES; MANY-BODY TECHNIQUES; METAL SURFACES; MONTE CARLO; QUANTUM-CHEMICAL METHODS; RANDOM PHASE APPROXIMATIONS;

EID: 68649092014     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.103.056401     Document Type: Article
Times cited : (408)

References (42)
  • 1
    • 0042113153 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
    • W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 (1965). PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 2
    • 4243553426 scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.38.3098
    • A.D. Becke, Phys. Rev. A 38, 3098 (1988). PLRAAN 1050-2947 10.1103/PhysRevA.38.3098
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 3
    • 0000189651 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.464913
    • A.D. Becke, J. Chem. Phys. 98, 5648 (1993). JCPSA6 0021-9606 10.1063/1.464913
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 4
    • 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
  • 5
    • 33644936253 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.72.085108
    • R. Armiento and A.E. Mattsson, Phys. Rev. B PRBMDO 1098-0121 72, 085108 (2005). 10.1103/PhysRevB.72.085108
    • (2005) Phys. Rev. B , vol.72 , pp. 085108
    • Armiento, R.1    Mattsson, A.E.2
  • 7
    • 41849095114 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.100.136406
    • J.P. Perdew, Phys. Rev. Lett. 100, 136406 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.100.136406
    • (2008) Phys. Rev. Lett. , vol.100 , pp. 136406
    • Perdew, J.P.1
  • 8
    • 33845518500 scopus 로고    scopus 로고
    • Influence of the exchange screening parameter on the performance of screened hybrid functionals
    • DOI 10.1063/1.2404663
    • A.V. Krukau, O.A. Vydrov, A.F. Izmaylov, and G.E. Scuseria, J. Chem. Phys. 125, 224106 (2006). JCPSA6 0021-9606 10.1063/1.2404663 (Pubitemid 44927407)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.22 , pp. 224106
    • Krukau, A.V.1    Vydrov, O.A.2    Izmaylov, A.F.3    Scuseria, G.E.4
  • 9
    • 47149108763 scopus 로고    scopus 로고
    • NJOPFM 1367-2630 10.1088/1367-2630/10/6/063020
    • A. Stroppa and G. Kresse, New J. Phys. 10, 063020 (2008). NJOPFM 1367-2630 10.1088/1367-2630/10/6/063020
    • (2008) New J. Phys. , vol.10 , pp. 063020
    • Stroppa, A.1    Kresse, G.2
  • 10
    • 36149011366 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.73.360
    • H.B.G. Casimir, D. Polder, Phys. Rev. 73, 360 (1948). PHRVAO 0031-899X 10.1103/PhysRev.73.360
    • (1948) Phys. Rev. , vol.73 , pp. 360
    • Casimir, H.B.G.1    Polder, D.2
  • 11
    • 3242718844 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401
    • M. Dion, Phys. Rev. Lett. 92, 246401 (2004). PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401
    • (2004) Phys. Rev. Lett. , vol.92 , pp. 246401
    • Dion, M.1
  • 13
    • 0001802479 scopus 로고
    • ADCPAA 0065-2385 10.1002/9780470143599.ch2
    • J. Cizek, Adv. Chem. Phys. 14, 35 (1969). ADCPAA 0065-2385 10.1002/9780470143599.ch2
    • (1969) Adv. Chem. Phys. , vol.14 , pp. 35
    • Cizek, J.1
  • 15
    • 36149024009 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.111.442
    • P. Nozières and D. Pines, Phys. Rev. 111, 442 (1958). PHRVAO 0031-899X 10.1103/PhysRev.111.442
    • (1958) Phys. Rev. , vol.111 , pp. 442
    • Nozières, P.1    Pines, D.2
  • 16
    • 36149016819 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.139.A796
    • L. Hedin, Phys. Rev. 139, A796 (1965). PHRVAO 0031-899X 10.1103/PhysRev.139.A796
    • (1965) Phys. Rev. , vol.139 , pp. 796
    • Hedin, L.1
  • 18
    • 25544474582 scopus 로고
    • PLRBAQ 0556-2805 10.1103/PhysRevB.13.4274
    • O. Gunnarsson and B.I. Lundqvist, Phys. Rev. B PLRBAQ 0556-2805 13, 4274 (1976). 10.1103/PhysRevB.13.4274
    • (1976) Phys. Rev. B , vol.13 , pp. 4274
    • Gunnarsson, O.1    Lundqvist, B.I.2
  • 19
    • 0016650111 scopus 로고
    • SSCOA4 0038-1098 10.1016/0038-1098(75)90618-3
    • D.C. Langreth and J.P. Perdew, Solid State Commun. 17, 1425 (1975); SSCOA4 0038-1098 10.1016/0038-1098(75)90618-3
    • (1975) Solid State Commun. , vol.17 , pp. 1425
    • Langreth, D.C.1    Perdew, J.P.2
  • 20
    • 14344278811 scopus 로고
    • PLRBAQ 0556-2805 10.1103/PhysRevB.15.2884
    • D.C. Langreth J.P. Perdew Phys. Rev. B PLRBAQ 0556-2805 15, 2884 (1977). 10.1103/PhysRevB.15.2884
    • (1977) Phys. Rev. B , vol.15 , pp. 2884
    • Langreth, D.C.1    Perdew, J.P.2
  • 21
    • 0000449024 scopus 로고
    • PLRBAQ 0556-2805 10.1103/PhysRevB.15.5512
    • D.L. Freeman, Phys. Rev. B PLRBAQ 0556-2805 15, 5512 (1977). 10.1103/PhysRevB.15.5512
    • (1977) Phys. Rev. B , vol.15 , pp. 5512
    • Freeman, D.L.1
  • 23
    • 0037116039 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.66.245103
    • T. Miyake, Phys. Rev. B PRBMDO 0163-1829 66, 245103 (2002). 10.1103/PhysRevB.66.245103
    • (2002) Phys. Rev. B , vol.66 , pp. 245103
    • Miyake, T.1
  • 25
    • 38849107422 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.77.045136
    • J. Harl and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 77, 045136 (2008). 10.1103/PhysRevB.77.045136
    • (2008) Phys. Rev. B , vol.77 , pp. 045136
    • Harl, J.1    Kresse, G.2
  • 26
    • 0035891014 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.64.195120
    • F. Furche, Phys. Rev. B PRBMDO 0163-1829 64, 195120 (2001). 10.1103/PhysRevB.64.195120
    • (2001) Phys. Rev. B , vol.64 , pp. 195120
    • Furche, F.1
  • 27
    • 52349088658 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2977789
    • F. Furche, J. Chem. Phys. 129, 114105 (2008). JCPSA6 0021-9606 10.1063/1.2977789
    • (2008) J. Chem. Phys. , vol.129 , pp. 114105
    • Furche, F.1
  • 28
    • 68949116680 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.80.045402
    • X. Ren, P. Rinke, and M. Scheffler, Phys. Rev. B PRBMDO 1098-0121 80, 045402 (2009). 10.1103/PhysRevB.80.045402
    • (2009) Phys. Rev. B , vol.80 , pp. 045402
    • Ren, X.1    Rinke, P.2    Scheffler, M.3
  • 29
    • 0000193939 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.74.1827
    • H.N. Rojas, R.W. Godby, and R.J. Needs, Phys. Rev. Lett. 74, 1827 (1995). PRLTAO 0031-9007 10.1103/PhysRevLett.74.1827
    • (1995) Phys. Rev. Lett. , vol.74 , pp. 1827
    • Rojas, H.N.1    Godby, R.W.2    Needs, R.J.3
  • 32
  • 33
    • 68649097512 scopus 로고
    • IJQCB2 0020-7608 10.1002/qua.560480813
    • J.P. Perdew, Int. J. Quantum Chem. IJQCB2 0020-7608 48, 93 (1993). 10.1002/qua.560480813
    • (1993) Int. J. Quantum Chem. , vol.48 , pp. 93
    • Perdew, J.P.1
  • 34
    • 34547187613 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2747249
    • J. Paier, J. Chem. Phys. 127, 024103 (2007). JCPSA6 0021-9606 10.1063/1.2747249
    • (2007) J. Chem. Phys. , vol.127 , pp. 024103
    • Paier, J.1
  • 36
    • 33644553465 scopus 로고    scopus 로고
    • Asymptotics of the dispersion interaction: Analytic benchmarks for van der Waals energy functionals
    • DOI 10.1103/PhysRevLett.96.073201, 073201
    • J.F. Dobson, A. White, and A. Rubio, Phys. Rev. Lett. 96, 073201 (2006). PRLTAO 0031-9007 10.1103/PhysRevLett.96.073201 (Pubitemid 43292548)
    • (2006) Physical Review Letters , vol.96 , Issue.7 , pp. 1-4
    • Dobson, J.F.1    White, A.2    Rubio, A.3
  • 37
    • 0008851085 scopus 로고    scopus 로고
    • Determination of site specific adsorption energies of CO on copper
    • DOI 10.1023/A:1012755616064
    • S. Vollmer, G. Witte, and C. Woell, Catal. Lett. 77, 97 (2001). CALEER 1011-372X 10.1023/A:1012755616064 (Pubitemid 33617940)
    • (2001) Catalysis Letters , vol.77 , Issue.1-3 , pp. 97-101
    • Vollmer, S.1    Witte, G.2    Woll, C.3
  • 39
    • 34247399615 scopus 로고    scopus 로고
    • Towards an exact treatment of exchange and correlation in materials: Application to the "cO adsorption puzzle" and other systems
    • DOI 10.1103/PhysRevLett.98.176103
    • Q.-M. Hu, K. Reuter, and M. Scheffler, Phys. Rev. Lett. 98, 176103 (2007). PRLTAO 0031-9007 10.1103/PhysRevLett.98.176103 (Pubitemid 46644548)
    • (2007) Physical Review Letters , vol.98 , Issue.17 , pp. 176103
    • Hu, Q.-M.1    Reuter, K.2    Scheffler, M.3
  • 40
    • 0242610880 scopus 로고    scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.68.032507
    • Y.M. Niquet, M. Fuchs, and X. Gonze, Phys. Rev. A 68, 032507 (2003). PLRAAN 1050-2947 10.1103/PhysRevA.68.032507
    • (2003) Phys. Rev. A , vol.68 , pp. 032507
    • Niquet, Y.M.1    Fuchs, M.2    Gonze, X.3
  • 41
    • 37249050372 scopus 로고    scopus 로고
    • Accurate quasiparticle spectra from self-consistent GW calculations with vertex corrections
    • DOI 10.1103/PhysRevLett.99.246403
    • M. Shishkin, M. Marsman, and G. Kresse, Phys. Rev. Lett. 99, 246403 (2007). PRLTAO 0031-9007 10.1103/PhysRevLett.99.246403 (Pubitemid 350276636)
    • (2007) Physical Review Letters , vol.99 , Issue.24 , pp. 246403
    • Shishkin, M.1    Marsman, M.2    Kresse, G.3


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