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Volumn 80, Issue 4, 2009, Pages

Exploring the random phase approximation: Application to CO adsorbed on Cu(111)

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EID: 68949116680     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.80.045402     Document Type: Article
Times cited : (173)

References (73)
  • 3
    • 0002247593 scopus 로고
    • 10.1016/0039-6028(77)90003-6
    • J. Kessler and F. Thieme, Surf. Sci. 67, 405 (1977). 10.1016/0039- 6028(77)90003-6
    • (1977) Surf. Sci. , vol.67 , pp. 405
    • Kessler, J.1    Thieme, F.2
  • 10
    • 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). 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
  • 11
    • 42749107274 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.69.195102
    • N. E. Dahlen and U. von Barth, Phys. Rev. B 69, 195102 (2004). 10.1103/PhysRevB.69.195102
    • (2004) Phys. Rev. B , vol.69 , pp. 195102
    • Dahlen, N.E.1    Von Barth, U.2
  • 12
    • 36148933794 scopus 로고    scopus 로고
    • Random-phase-approximation-based correlation energy functionals: Benchmark results for atoms
    • DOI 10.1063/1.2795707
    • H. Jiang and E. Engel, J. Chem. Phys. 127, 184108 (2007). 10.1063/1.2795707 (Pubitemid 350115913)
    • (2007) Journal of Chemical Physics , vol.127 , Issue.18 , pp. 184108
    • Jiang, H.1    Engel, E.2
  • 13
    • 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
  • 14
    • 0037096494 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.65.235109
    • M. Fuchs and X. Gonze, Phys. Rev. B 65, 235109 (2002). 10.1103/PhysRevB.65.235109
    • (2002) Phys. Rev. B , vol.65 , pp. 235109
    • Fuchs, M.1    Gonze, X.2
  • 15
    • 0001401905 scopus 로고    scopus 로고
    • 10.1103/PhysRevLett.82.2123
    • J. F. Dobson and J. Wang, Phys. Rev. Lett. 82, 2123 (1999). 10.1103/PhysRevLett.82.2123
    • (1999) Phys. Rev. Lett. , vol.82 , pp. 2123
    • Dobson, J.F.1    Wang, J.2
  • 18
    • 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
  • 19
    • 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
  • 22
    • 4644301517 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.68.073401
    • G. Kresse, A. Gil, and P. Sautet, Phys. Rev. B 68, 073401 (2003). 10.1103/PhysRevB.68.073401
    • (2003) Phys. Rev. B , vol.68 , pp. 073401
    • Kresse, G.1    Gil, A.2    Sautet, P.3
  • 24
    • 23944443716 scopus 로고    scopus 로고
    • CO adsorption on Cu(1 1 1) and Cu(0 0 1) surfaces: Improving site preference in DFT calculations
    • DOI 10.1016/j.susc.2005.04.047, PII S0039602805004541
    • M. Gajdoš and J. Hafner, Surf. Sci. 590, 117 (2005). 10.1016/j.susc.2005.04.047 (Pubitemid 41203250)
    • (2005) Surface Science , vol.590 , Issue.2-3 , pp. 117-126
    • Gajdos, M.1    Hafner, J.2
  • 25
    • 10044257706 scopus 로고    scopus 로고
    • 10.1016/j.susc.2004.10.015
    • K. Doll, Surf. Sci. 573, 464 (2004). 10.1016/j.susc.2004.10.015
    • (2004) Surf. Sci. , vol.573 , pp. 464
    • Doll, K.1
  • 26
    • 33644586169 scopus 로고    scopus 로고
    • CO adsorption on the Cu(1 1 1) surface: A density functional study
    • DOI 10.1016/j.susc.2005.12.036, PII S0039602806000045
    • M. Neef and K. Doll, Surf. Sci. 600, 1085 (2006). 10.1016/j.susc.2005.12. 036 (Pubitemid 43312720)
    • (2006) Surface Science , vol.600 , Issue.5 , pp. 1085-1092
    • Neef, M.1    Doll, K.2
  • 28
    • 47149108763 scopus 로고    scopus 로고
    • 10.1088/1367-2630/10/6/063020
    • A. Stroppa and G. Kresse, New J. Phys. 10, 063020 (2008). 10.1088/1367-2630/10/6/063020
    • (2008) New J. Phys. , vol.10 , pp. 063020
    • Stroppa, A.1    Kresse, G.2
  • 29
    • 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). 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
  • 31
    • 36149016819 scopus 로고
    • 10.1103/PhysRev.139.A796
    • L. Hedin, Phys. Rev. 139, A796 (1965). 10.1103/PhysRev.139.A796
    • (1965) Phys. Rev. , vol.139 , pp. 796
    • Hedin, L.1
  • 35
    • 0000189651 scopus 로고
    • 10.1063/1.464913
    • A. D. Becke, J. Chem. Phys. 98, 5648 (1993). 10.1063/1.464913
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 42
    • 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. 7, 126 (2005). 10.1088/1367-2630/7/1/126 (Pubitemid 40906137)
    • (2005) New Journal of Physics , vol.7
    • Rinke, P.1    Qteish, A.2    Neugebauer, J.3    Freysoldt, C.4    Scheffler, M.5
  • 43
    • 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
  • 49
    • 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
  • 51
    • 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
  • 52
    • 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
  • 53
    • 0001180749 scopus 로고
    • 10.1103/PhysRevA.51.2005
    • M. E. Casida, Phys. Rev. A 51, 2005 (1995). 10.1103/PhysRevA.51.2005
    • (1995) Phys. Rev. A , vol.51 , pp. 2005
    • Casida, M.E.1
  • 54
    • 0007784067 scopus 로고    scopus 로고
    • 10.1088/0953-8984/10/41/007
    • T. Kotani, J. Phys.: Condens. Matter 10, 9241 (1998). 10.1088/0953-8984/10/41/007
    • (1998) J. Phys.: Condens. Matter , vol.10 , pp. 9241
    • Kotani, T.1
  • 58
  • 59
    • 33744712364 scopus 로고
    • 10.1103/PhysRevB.32.3883
    • L. J. Sham and M. Schlüter, Phys. Rev. B 32, 3883 (1985). 10.1103/PhysRevB.32.3883
    • (1985) Phys. Rev. B , vol.32 , pp. 3883
    • Sham, L.J.1    Schlüter, M.2
  • 69
    • 0014506077 scopus 로고
    • 10.1103/PhysRevLett.22.1034
    • R. D. Rempt, Phys. Rev. Lett. 22, 1034 (1969). 10.1103/PhysRevLett.22. 1034
    • (1969) Phys. Rev. Lett. , vol.22 , pp. 1034
    • Rempt, R.D.1
  • 70
    • 33644936253 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.72.085108
    • R. Armiento and A. E. Mattsson, Phys. Rev. B 72, 085108 (2005). 10.1103/PhysRevB.72.085108
    • (2005) Phys. Rev. B , vol.72 , pp. 085108
    • Armiento, R.1    Mattsson, A.E.2
  • 71
    • 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). 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
  • 72
    • 0342778780 scopus 로고
    • 10.1016/0042-207X(62)90978-8
    • P. A. Redhead, Vacuum 12, 203 (1962). 10.1016/0042-207X(62)90978-8
    • (1962) Vacuum , vol.12 , pp. 203
    • Redhead, P.A.1


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