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Volumn 88, Issue 7, 2013, Pages

Self-consistent GW: All-electron implementation with localized basis functions

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EID: 84883425339     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.88.075105     Document Type: Article
Times cited : (195)

References (74)
  • 2
    • 36149016819 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.139.A796
    • L. Hedin, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.139.A796 139, A796 (1965).
    • (1965) Phys. Rev. , vol.139 , pp. 796
    • Hedin, L.1
  • 3
    • 1542388160 scopus 로고    scopus 로고
    • RPPHAG 0034-4885 10.1088/0034-4885/61/3/002
    • F. Aryasetiawan and O. Gunnarsson, Rep. Prog. Phys. RPPHAG 0034-4885 10.1088/0034-4885/61/3/002 61, 237 (1998).
    • (1998) Rep. Prog. Phys. , vol.61 , pp. 237
    • Aryasetiawan, F.1    Gunnarsson, O.2
  • 4
    • 0036057017 scopus 로고    scopus 로고
    • RMPHAT 0034-6861 10.1103/RevModPhys.74.601
    • G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.74.601 74, 601 (2002).
    • (2002) Rev. Mod. Phys. , vol.74 , pp. 601
    • Onida, G.1    Reining, L.2    Rubio, A.3
  • 5
    • 22144469121 scopus 로고
    • 9780-1260 10.1016/S0081-1947(08)60615-3
    • L. Hedin and S. Lundqvist, Solid State Phys. 9780-1260 10.1016/S0081-1947(08)60615-3 23, 1 (1970).
    • (1970) Solid State Phys. , vol.23 , pp. 1
    • Hedin, L.1    Lundqvist, S.2
  • 7
    • 21344438863 scopus 로고    scopus 로고
    • Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound semiconductors
    • DOI 10.1088/1367-2630/7/1/126, PII S1367263005911257
    • P. Rinke, A. Qteish, J. Neugebauer, C. Freysoldt, and M. Scheffler, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/7/1/126 7, 126 (2005). (Pubitemid 40906137)
    • (2005) New Journal of Physics , vol.7
    • Rinke, P.1    Qteish, A.2    Neugebauer, J.3    Freysoldt, C.4    Scheffler, M.5
  • 8
    • 79961082947 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.83.115103
    • X. Blase, C. Attaccalite, and V. Olevano, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.115103 83, 115103 (2011).
    • (2011) Phys. Rev. B , vol.83 , pp. 115103
    • Blase, X.1    Attaccalite, C.2    Olevano, V.3
  • 9
  • 10
    • 25544479230 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.34.5390
    • M. S. Hybertsen and S. G. Louie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.34.5390 34, 5390 (1986).
    • (1986) Phys. Rev. B , vol.34 , pp. 5390
    • Hybertsen, M.S.1    Louie, S.G.2
  • 14
    • 33646515721 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.124.287
    • G. Baym and L. P. Kadanoff, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.124.287 124, 287 (1961).
    • (1961) Phys. Rev. , vol.124 , pp. 287
    • Baym, G.1    Kadanoff, L.P.2
  • 15
    • 33748957360 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.127.1391
    • G. Baym, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.127.1391 127, 1391 (1962).
    • (1962) Phys. Rev. , vol.127 , pp. 1391
    • Baym, G.1
  • 18
    • 0000935939 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.57.2108
    • B. Holm and U. von Barth, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.57.2108 57, 2108 (1998).
    • (1998) Phys. Rev. B , vol.57 , pp. 2108
    • Holm, B.1    Von Barth, U.2
  • 19
    • 0000192363 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.81.1662
    • W.-D. Schöne and A. G. Eguiluz, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.1662 81, 1662 (1998).
    • (1998) Phys. Rev. Lett. , vol.81 , pp. 1662
    • Schöne, W.-D.1    Eguiluz, A.G.2
  • 20
    • 0037120381 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.89.126401
    • W. Ku and A. G. Eguiluz, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.126401 89, 126401 (2002).
    • (2002) Phys. Rev. Lett. , vol.89 , pp. 126401
    • Ku, W.1    Eguiluz, A.G.2
  • 21
    • 69949184094 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.80.041103
    • A. Kutepov, S. Y. Savrasov, and G. Kotliar, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.041103 80, 041103 (2009).
    • (2009) Phys. Rev. B , vol.80 , pp. 041103
    • Kutepov, A.1    Savrasov, S.Y.2    Kotliar, G.3
  • 28
    • 36849099978 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1679012
    • J. L. Whitten, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1679012 58, 4496 (1973).
    • (1973) J. Chem. Phys. , vol.58 , pp. 4496
    • Whitten, J.L.1
  • 30
  • 32
    • 0037017084 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.88.056406
    • P. García-González and R. W. Godby, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.056406 88, 056406 (2002).
    • (2002) Phys. Rev. Lett. , vol.88 , pp. 056406
    • García-González, P.1    Godby, R.W.2
  • 33
    • 66749165989 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.79.201104
    • P. Umari, G. Stenuit, and S. Baroni, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.201104 79, 201104 (2009).
    • (2009) Phys. Rev. B , vol.79 , pp. 201104
    • Umari, P.1    Stenuit, G.2    Baroni, S.3
  • 34
    • 50449089375 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.78.085125
    • F. Bruneval and X. Gonze, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.085125 78, 085125 (2008).
    • (2008) Phys. Rev. B , vol.78 , pp. 085125
    • Bruneval, F.1    Gonze, X.2
  • 35
    • 77956689506 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.82.041103
    • J. A. Berger, L. Reining, and F. Sottile, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.041103 82, 041103 (2010).
    • (2010) Phys. Rev. B , vol.82 , pp. 041103
    • Berger, J.A.1    Reining, L.2    Sottile, F.3
  • 36
    • 77954984623 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.81.115105
    • F. Giustino, M. L. Cohen, and S. G. Louie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.115105 81, 115105 (2010).
    • (2010) Phys. Rev. B , vol.81 , pp. 115105
    • Giustino, F.1    Cohen, M.L.2    Louie, S.G.3
  • 39
    • 0036385792 scopus 로고    scopus 로고
    • PPCPFQ 1463-9076 10.1039/b204199p
    • F. Weigend, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b204199p 4, 4285 (2002).
    • (2002) Phys. Chem. Chem. Phys. , vol.4 , pp. 4285
    • Weigend, F.1
  • 40
    • 77953864922 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.3442749
    • H. Eshuis, J. Yarkony, and F. Furche, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3442749 132, 234114 (2010).
    • (2010) J. Chem. Phys. , vol.132 , pp. 234114
    • Eshuis, H.1    Yarkony, J.2    Furche, F.3
  • 42
    • 0001465957 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.49.16214
    • F. Aryasetiawan and O. Gunnarsson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.49.16214 49, 16214 (1994).
    • (1994) Phys. Rev. B , vol.49 , pp. 16214
    • Aryasetiawan, F.1    Gunnarsson, O.2
  • 44
    • 33744818476 scopus 로고    scopus 로고
    • Quasiparticle self-consistent GW theory
    • DOI 10.1103/PhysRevLett.96.226402
    • M. van Schilfgaarde, T. Kotani, and S. Faleev, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.226402 96, 226402 (2006). (Pubitemid 43839566)
    • (2006) Physical Review Letters , vol.96 , Issue.22 , pp. 226402
    • Van Schilfgaarde, M.1    Kotani, T.2    Faleev, S.3
  • 45
    • 0037441233 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.67.075108
    • A. K. McMahan, K. Held, and R. T. Scalettar, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.67.075108 67, 075108 (2003).
    • (2003) Phys. Rev. B , vol.67 , pp. 075108
    • McMahan, A.K.1    Held, K.2    Scalettar, R.T.3
  • 48
    • 75949096644 scopus 로고    scopus 로고
    • JMOSB4 0022-2860 10.1016/j.molstruc.2009.12.013
    • T. Pasinszki, M. Krebsz, and G. Vass, J. Mol. Struct. JMOSB4 0022-2860 10.1016/j.molstruc.2009.12.013 966, 85 (2010).
    • (2010) J. Mol. Struct. , vol.966 , pp. 85
    • Pasinszki, T.1    Krebsz, M.2    Vass, G.3
  • 50
  • 53
    • 79951483406 scopus 로고    scopus 로고
    • JPCAFH 1089-5639 10.1021/jp110499c
    • P.-K. Lo and K.-C. Lau, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp110499c 115, 932 (2011).
    • (2011) J. Phys. Chem. A , vol.115 , pp. 932
    • Lo, P.-K.1    Lau, K.-C.2
  • 54
    • 27144531276 scopus 로고    scopus 로고
    • Many-body perturbation theory using the density-functional concept: Beyond the GW approximation
    • DOI 10.1103/PhysRevLett.94.186402, 186402
    • F. Bruneval, F. Sottile, V. Olevano, R. Del Sole, and L. Reining, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.186402 94, 186402 (2005). (Pubitemid 41493064)
    • (2005) Physical Review Letters , vol.94 , Issue.18 , pp. 1-4
    • Bruneval, F.1    Sottile, F.2    Olevano, V.3    Del Sole, R.4    Reining, L.5
  • 55
    • 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. PRLTAO 0031-9007 10.1103/PhysRevLett.99.246403 99, 246403 (2007). (Pubitemid 350276636)
    • (2007) Physical Review Letters , vol.99 , Issue.24 , pp. 246403
    • Shishkin, M.1    Marsman, M.2    Kresse, G.3
  • 56
    • 2342418884 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.69.125212
    • M. L. Tiago, S. Ismail-Beigi, and S. G. Louie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69.125212 69, 125212 (2004).
    • (2004) Phys. Rev. B , vol.69 , pp. 125212
    • Tiago, M.L.1    Ismail-Beigi, S.2    Louie, S.G.3
  • 58
    • 4243296527 scopus 로고    scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.64.012502
    • M. Jurvansuu, A. Kivimäki, and S. Aksela, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.64.012502 64, 012502 (2001).
    • (2001) Phys. Rev. A , vol.64 , pp. 012502
    • Jurvansuu, M.1    Kivimäki, A.2    Aksela, S.3
  • 60
    • 80051718526 scopus 로고    scopus 로고
    • PPCPFQ 1463-9076 10.1039/c1cp20829b
    • P. Liao and E. A. Carter, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/c1cp20829b 13, 15189 (2011).
    • (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 15189
    • Liao, P.1    Carter, E.A.2
  • 61
    • 33847686755 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.118.1417
    • J. M. Luttinger and J. C. Ward, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.118.1417 118, 1417 (1960).
    • (1960) Phys. Rev. , vol.118 , pp. 1417
    • Luttinger, J.M.1    Ward, J.C.2
  • 62
    • 0042794568 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.121.950
    • A. Klein, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.121.950 121, 950 (1961).
    • (1961) Phys. Rev. , vol.121 , pp. 950
    • Klein, A.1
  • 65
    • 84883374502 scopus 로고    scopus 로고
    • Ph.D. thesis, University of York
    • K. Delaney, Ph.D. thesis, University of York, 2003.
    • (2003)
    • Delaney, K.1
  • 67
  • 69
    • 0000123861 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.478747
    • D. Feller and K. A. Peterson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478747 110, 8384 (1999).
    • (1999) J. Chem. Phys. , vol.110 , pp. 8384
    • Feller, D.1    Peterson, K.A.2
  • 70
    • 84883392534 scopus 로고    scopus 로고
    • http://cccbdb.nist.gov/.
  • 71
    • 34347372420 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.75.235102
    • M. Shishkin and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.235102 75, 235102 (2007).
    • (2007) Phys. Rev. B , vol.75 , pp. 235102
    • Shishkin, M.1    Kresse, G.2
  • 72
    • 51249171839 scopus 로고
    • 0393-697X 10.1007/BF02725962
    • G. Strinati, Riv. Nuovo Cimento 0393-697X 10.1007/BF02725962 11, 1 (1988).
    • (1988) Riv. Nuovo Cimento , vol.11 , pp. 1
    • Strinati, G.1
  • 73
    • 0035099259 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.63.075112
    • P. García-González and R. W. Godby, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.63.075112 63, 075112 (2001).
    • (2001) Phys. Rev. B , vol.63 , pp. 075112
    • García-González, P.1    Godby, R.W.2
  • 74
    • 84946293303 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1680654
    • B. Liu and A. D. McLean, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1680654 59, 4557 (1973).
    • (1973) J. Chem. Phys. , vol.59 , pp. 4557
    • Liu, B.1    McLean, A.D.2


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