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Volumn 131, Issue 4, 2009, Pages

Exact-exchange kernel of time-dependent density functional theory: Frequency dependence and photoabsorption spectra of atoms

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC APPROXIMATIONS; AUTOIONIZING RESONANCES; EIGENVALUES; EXACT EXCHANGE; FANO PARAMETERS; FREQUENCY DEPENDENCE; INNER SHELL EXCITATION; PHOTOABSORPTION SPECTRA; PHOTOIONIZATION CROSS SECTION; RESPONSE FUNCTIONS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT HARTREE-FOCK;

EID: 68249114412     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3179756     Document Type: Article
Times cited : (53)

References (50)
  • 1
    • 2842515744 scopus 로고
    • 10.1103/PhysRev.124.1866
    • U. Fano, Phys. Rev. 124, 1866 (1961). 10.1103/PhysRev.124.1866
    • (1961) Phys. Rev. , vol.124 , pp. 1866
    • Fano, U.1
  • 5
    • 0010558087 scopus 로고
    • 0340-224X,. 10.1007/BF01312933
    • T. Ando, Z. Phys. B 0340-224X 26, 263 (1977). 10.1007/BF01312933
    • (1977) Z. Phys. B , vol.26 , pp. 263
    • Ando, T.1
  • 6
    • 0001169488 scopus 로고
    • 1050-2947,. 10.1103/PhysRevA.21.1561
    • A. Zangwill and P. Soven, Phys. Rev. A 1050-2947 21, 1561 (1980). 10.1103/PhysRevA.21.1561
    • (1980) Phys. Rev. A , vol.21 , pp. 1561
    • Zangwill, A.1    Soven, P.2
  • 7
    • 0009544302 scopus 로고
    • 0022-3719,. 10.1088/0022-3719/11/24/023
    • V. Peuckert, J. Phys. C 0022-3719 11, 4945 (1978). 10.1088/0022-3719/11/ 24/023
    • (1978) J. Phys. C , vol.11 , pp. 4945
    • Peuckert, V.1
  • 8
    • 0012597289 scopus 로고
    • 0031-9007,. 10.1103/PhysRevLett.52.997
    • E. Runge and E. K. U. Gross, Phys. Rev. Lett. 0031-9007 52, 997 (1984). 10.1103/PhysRevLett.52.997
    • (1984) Phys. Rev. Lett. , vol.52 , pp. 997
    • Runge, E.1    Gross, E.K.U.2
  • 11
    • 33847686755 scopus 로고
    • 10.1103/PhysRev.118.1417
    • L. M. Luttinger and J. C. Ward, Phys. Rev. 118, 1417 (1960). 10.1103/PhysRev.118.1417
    • (1960) Phys. Rev. , vol.118 , pp. 1417
    • Luttinger, L.M.1    Ward, J.C.2
  • 12
    • 0042794568 scopus 로고
    • 10.1103/PhysRev.121.950
    • A. Klein, Phys. Rev. 121, 950 (1961). 10.1103/PhysRev.121.950
    • (1961) Phys. Rev. , vol.121 , pp. 950
    • Klein, A.1
  • 14
    • 51649221491 scopus 로고    scopus 로고
    • 0163-1829,. 10.1103/PhysRevB.78.115107
    • M. Hellgren and U. von Barth, Phys. Rev. B 0163-1829 78, 115107 (2008). 10.1103/PhysRevB.78.115107
    • (2008) Phys. Rev. B , vol.78 , pp. 115107
    • Hellgren, M.1    Von Barth, U.2
  • 15
    • 0037091217 scopus 로고    scopus 로고
    • Time-dependent density functional theory employing optimized effective potentials
    • DOI 10.1063/1.1460869
    • S. Hirata, S. Ivanov, I. Grabowski, and R. J. Bartlett, J. Chem. Phys. 0021-9606 116, 6468 (2002). 10.1063/1.1460869 (Pubitemid 34460122)
    • (2002) Journal of Chemical Physics , vol.116 , Issue.15 , pp. 6468-6481
    • Hirata, S.1    Ivanov, S.2    Grabowski, I.3    Bartlett, R.J.4
  • 17
    • 0037179345 scopus 로고    scopus 로고
    • 0031-9007,. 10.1103/PhysRevLett.89.096402
    • Y. -O. Kim and A. Görling, Phys. Rev. Lett. 0031-9007 89, 096402 (2002). 10.1103/PhysRevLett.89.096402
    • (2002) Phys. Rev. Lett. , vol.89 , pp. 096402
    • Kim, Y.-O.1    Görling, A.2
  • 18
    • 38949161803 scopus 로고    scopus 로고
    • Real-time electron dynamics with exact-exchange time-dependent density-functional theory
    • DOI 10.1103/PhysRevLett.100.056404
    • H. O. Wijewardane and C. A. Ullrich, Phys. Rev. Lett. 0031-9007 100, 056404 (2008). 10.1103/PhysRevLett.100.056404 (Pubitemid 351230682)
    • (2008) Physical Review Letters , vol.100 , Issue.5 , pp. 056404
    • Wijewardane, H.O.1    Ullrich, C.A.2
  • 19
    • 4243521018 scopus 로고
    • 0031-9007,. 10.1103/PhysRevLett.60.1558
    • I. -W. Lyo and E. W. Plummer, Phys. Rev. Lett. 0031-9007 60, 1558 (1988). 10.1103/PhysRevLett.60.1558
    • (1988) Phys. Rev. Lett. , vol.60 , pp. 1558
    • Lyo, I.-W.1    Plummer, E.W.2
  • 20
    • 4243742957 scopus 로고
    • 0031-9007,. 10.1103/PhysRevLett.62.2718
    • G. D. Mahan and B. E. Sernelius, Phys. Rev. Lett. 0031-9007 62, 2718 (1989). 10.1103/PhysRevLett.62.2718
    • (1989) Phys. Rev. Lett. , vol.62 , pp. 2718
    • Mahan, G.D.1    Sernelius, B.E.2
  • 21
    • 0842312606 scopus 로고
    • 10.1088/0031-8949/1992/T45/058 0281-1847
    • F. Aryasetiawan and U. von Barth, Phys. Scr. T 45, 270 (1992). 10.1088/0031-8949/1992/T45/058 0281-1847
    • (1992) Phys. Scr. T , vol.45 , pp. 270
    • Aryasetiawan, F.1    Von Barth, U.2
  • 22
    • 34547842230 scopus 로고    scopus 로고
    • 0163-1829,. 10.1103/PhysRevB.76.075107
    • M. Hellgren and U. von Barth, Phys. Rev. B 0163-1829 76, 075107 (2007). 10.1103/PhysRevB.76.075107
    • (2007) Phys. Rev. B , vol.76 , pp. 075107
    • Hellgren, M.1    Von Barth, U.2
  • 23
    • 29144512279 scopus 로고    scopus 로고
    • 0021-9606,. 10.1063/1.2128674
    • H. Jiang and E. Engel, J. Chem. Phys. 0021-9606 123, 224102 (2005). 10.1063/1.2128674
    • (2005) J. Chem. Phys. , vol.123 , pp. 224102
    • Jiang, H.1    Engel, E.2
  • 25
    • 33645944934 scopus 로고
    • 0031-9007,. 10.1103/PhysRevLett.55.2850
    • E. K. U. Gross and W. Kohn, Phys. Rev. Lett. 0031-9007 55, 2850 (1985). 10.1103/PhysRevLett.55.2850
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2850
    • Gross, E.K.U.1    Kohn, W.2
  • 26
    • 33745778149 scopus 로고    scopus 로고
    • edited by M. A. L. Marques, C. A. Ullrich, F. Nogueira, A. Rubio, K. Burke, and E. K. U. Gross (Springer, Berlin, Heidelberg).
    • Time-Dependent Density Functional Theory, edited by, M. A. L. Marques, C. A. Ullrich, F. Nogueira, A. Rubio, K. Burke, and, E. K. U. Gross, (Springer, Berlin, Heidelberg, 2006).
    • (2006) Time-Dependent Density Functional Theory
  • 28
    • 0001180749 scopus 로고
    • 1050-2947,. 10.1103/PhysRevA.51.2005
    • M. E. Casida, Phys. Rev. A 1050-2947 51, 2005 (1995). 10.1103/PhysRevA.51.2005
    • (1995) Phys. Rev. A , vol.51 , pp. 2005
    • Casida, M.E.1
  • 29
    • 33748957360 scopus 로고
    • 10.1103/PhysRev.127.1391
    • G. Baym, Phys. Rev. 127, 1391 (1962). 10.1103/PhysRev.127.1391
    • (1962) Phys. Rev. , vol.127 , pp. 1391
    • Baym, G.1
  • 30
    • 4243209020 scopus 로고
    • 0031-9007,. 10.1103/PhysRevLett.51.1888
    • L. J. Sham and M. Schlüter, Phys. Rev. Lett. 0031-9007 51, 1888 (1983). 10.1103/PhysRevLett.51.1888
    • (1983) Phys. Rev. Lett. , vol.51 , pp. 1888
    • Sham, L.J.1    Schlüter, M.2
  • 31
    • 0000721611 scopus 로고
    • 1050-2947,. 10.1103/PhysRevA.35.4796
    • D. Mearns and W. Kohn, Phys. Rev. A 1050-2947 35, 4796 (1987). 10.1103/PhysRevA.35.4796
    • (1987) Phys. Rev. A , vol.35 , pp. 4796
    • Mearns, D.1    Kohn, W.2
  • 32
    • 68249125239 scopus 로고    scopus 로고
    • Notice that starting from the variational formulation based on the Klein functional leads to the necessity to invert the noninteracting response twice in order to construct the XC kernel. This is most likely not the case starting from a more sophisticated variational functional.
    • Notice that starting from the variational formulation based on the Klein functional leads to the necessity to invert the noninteracting response twice in order to construct the XC kernel. This is most likely not the case starting from a more sophisticated variational functional.
  • 34
    • 0031256641 scopus 로고    scopus 로고
    • TDLDA calculations of photoionization cross-section and asymmetry parameter profiles of alkaline-earth atoms
    • DOI 10.1016/S0301-0104(97)00209-7
    • M. Stener, G. D. Alti, G. Fronzoni, and P. Decleva, Chem. Phys. 0301-0104 222, 197 (1997). 10.1016/S0301-0104(97)00209-7 (Pubitemid 127142254)
    • (1997) Chemical Physics , vol.222 , Issue.2-3 , pp. 197-214
    • Stener, M.1    De Alti, G.2    Fronzoni, G.3    Decleva, P.4
  • 35
    • 0001264867 scopus 로고
    • 0953-4075,. 10.1088/0953-4075/28/23/009
    • M. Stener, P. Decleva, and A. Lisini, J. Phys. B 0953-4075 28, 4973 (1995). 10.1088/0953-4075/28/23/009
    • (1995) J. Phys. B , vol.28 , pp. 4973
    • Stener, M.1    Decleva, P.2    Lisini, A.3
  • 36
    • 0035838240 scopus 로고    scopus 로고
    • 0217-9792,. 10.1142/S021797920100499X
    • R. van Leeuwen, Int. J. Mod. Phys. B 0217-9792 15, 1969 (2001). 10.1142/S021797920100499X
    • (2001) Int. J. Mod. Phys. B , vol.15 , pp. 1969
    • Van Leeuwen, R.1
  • 37
    • 0037110076 scopus 로고    scopus 로고
    • 0163-1829,. 10.1103/PhysRevB.66.165119
    • F. Aryasetiawan and O. Gunnarsson, Phys. Rev. B 0163-1829 66, 165119 (2002). 10.1103/PhysRevB.66.165119
    • (2002) Phys. Rev. B , vol.66 , pp. 165119
    • Aryasetiawan, F.1    Gunnarsson, O.2
  • 38
    • 11944252202 scopus 로고
    • 1050-2947,. 10.1103/PhysRevA.45.101
    • J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A 1050-2947 45, 101 (1992). 10.1103/PhysRevA.45.101
    • (1992) Phys. Rev. A , vol.45 , pp. 101
    • Krieger, J.B.1    Li, Y.2    Iafrate, G.J.3
  • 39
    • 3943111055 scopus 로고
    • 10.1088/0022-3700/8/1/004
    • R. F. Stewart, J. Phys. B 8, 1 (1975). 10.1088/0022-3700/8/1/004
    • (1975) J. Phys. B , vol.8 , pp. 1
    • Stewart, R.F.1
  • 40
    • 0345863509 scopus 로고
    • 0026-8976,. 10.1080/00268977500101381
    • R. F. Stewart, Mol. Phys. 0026-8976 29, 1577 (1975). 10.1080/ 00268977500101381
    • (1975) Mol. Phys. , vol.29 , pp. 1577
    • Stewart, R.F.1
  • 41
    • 6144260420 scopus 로고
    • 1050-2947,. 10.1103/PhysRevA.50.3827
    • C. J. Umrigar and X. Gonze, Phys. Rev. A 1050-2947 50, 3827 (1994). 10.1103/PhysRevA.50.3827
    • (1994) Phys. Rev. A , vol.50 , pp. 3827
    • Umrigar, C.J.1    Gonze, X.2
  • 42
    • 68249128029 scopus 로고    scopus 로고
    • NIST Atomic Spectroscopic Database, National Institute of Standards and Technology. Available online at.
    • NIST Atomic Spectroscopic Database, National Institute of Standards and Technology. Available online at http://physics.nist.gov/physrefdata/asd/index. html.
  • 43
    • 0034323791 scopus 로고    scopus 로고
    • 0020-7608,. 10.1002/1097-461X(2000)80:4/5<534::AID-QUA3>3.0.CO;2-V
    • M. Petersilka, E. K. U. Gross, and K. Burke, Int. J. Quantum Chem. 0020-7608 80, 534 (2000). 10.1002/1097-461X(2000)80:4/5<534::AID-QUA3>3.0. CO;2-V
    • (2000) Int. J. Quantum Chem. , vol.80 , pp. 534
    • Petersilka, M.1    Gross, E.K.U.2    Burke, K.3
  • 47
    • 0035826601 scopus 로고    scopus 로고
    • The role of exchange and correlation in time-dependent density-functional theory for photoionization
    • DOI 10.1063/1.1364675
    • M. Stener, P. Decleva, and A. Görling, J. Chem. Phys. 0021-9606 114, 7816 (2001). 10.1063/1.1364675 (Pubitemid 32486695)
    • (2001) Journal of Chemical Physics , vol.114 , Issue.18 , pp. 7816-7829
    • Stener, M.1    Decleva, P.2    Gorling, A.3


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