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Volumn 131, Issue 22, 2009, Pages

Exact Kohn-Sham potential of strongly correlated finite systems

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTIC EXPRESSIONS; FINITE SYSTEMS; FUNCTIONAL FORMS; FUNCTIONALS; HYDROGEN MOLECULE; IN-BETWEEN; KOHN-SHAM POTENTIAL; NUMERICAL CALCULATION; ON-SITE CORRELATION; SINGLE BOND; STRONGLY CORRELATED SYSTEMS; TWO-ELECTRON MODEL;

EID: 72449144615     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3271392     Document Type: Article
Times cited : (113)

References (31)
  • 1
    • 10644250257 scopus 로고
    • 0096-8250. 10.1103/PhysRev.136.B864
    • P. Hohenberg and W. Kohn, Phys. Rev. 0096-8250 136, B864 (1964). 10.1103/PhysRev.136.B864
    • (1964) Phys. Rev. , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 2
    • 0042113153 scopus 로고
    • 0096-8250. 10.1103/PhysRev.140.A1133
    • W. Kohn and L. J. Sham, Phys. Rev. 0096-8250 140, A1133 (1965). 10.1103/PhysRev.140.A1133
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 5
    • 22944448333 scopus 로고    scopus 로고
    • Describing static correlation in bond dissociation by Kohn-Sham density functional theory
    • DOI 10.1063/1.1858371, 094116
    • M. Fuchs, Y. -M. Niquet, X. Gonze, and K. Burke, J. Chem. Phys. 0021-9606 122, 094116 (2005). 10.1063/1.1858371 (Pubitemid 41042132)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.9 , pp. 1-13
    • Fuchs, M.1    Niquet, Y.-M.2    Gonze, X.3    Burke, K.4
  • 6
    • 33749132602 scopus 로고    scopus 로고
    • Dispersion (Van Der Waals) forces and TDDFT
    • DOI 10.1007/3-540-35426-3-30, Time-Dependent Density Functional Theory
    • J. Dobson, in Time-Dependent Density Functional Theory (Springer, Berlin, Heidelberg, 2006), pp. 443-462. 10.1007/3-540-35426-3-30 (Pubitemid 44468566)
    • (2006) Lecture Notes in Physics , vol.706 , pp. 443-462
    • Dobson, J.F.1
  • 14
    • 4243669339 scopus 로고
    • 1050-2947. 10.1103/PhysRevA.49.2421
    • R. van Leeuwen and E. J. Baerends, Phys. Rev. A 1050-2947 49, 2421 (1994). 10.1103/PhysRevA.49.2421
    • (1994) Phys. Rev. A , vol.49 , pp. 2421
    • Van Leeuwen, R.1    Baerends, E.J.2
  • 16
    • 0000002228 scopus 로고    scopus 로고
    • 1050-2947. 10.1103/PhysRevA.54.1957
    • O. V. Gritsenko and E. J. Baerends, Phys. Rev. A 1050-2947 54, 1957 (1996). 10.1103/PhysRevA.54.1957
    • (1996) Phys. Rev. A , vol.54 , pp. 1957
    • Gritsenko, O.V.1    Baerends, E.J.2
  • 18
    • 0031285913 scopus 로고    scopus 로고
    • Electron correlation effects on the shape of the Kohn-Sham molecular orbital
    • DOI 10.1007/s002140050202, Theory, Computation, and Modeling
    • O. V. Gritsenko and E. J. Baerends, Theor. Chem. Acc. 1432-881X 96, 44 (1997). 10.1007/s002140050202 (Pubitemid 127092557)
    • (1997) Theoretical Chemistry Accounts , vol.96 , Issue.1 , pp. 44-50
    • Gritsenko, O.V.1    Baerends, E.J.2
  • 20
    • 72449137994 scopus 로고    scopus 로고
    • note
    • Apparently, the KS potential close to each of the dissociated fragments is identical to the potential of the isolated fragment. When we are talking about universality we are referring to the nontrivial features of the KS potential between the fragments.
  • 21
    • 4243553426 scopus 로고
    • 1050-2947. 10.1103/PhysRevA.38.3098
    • A. Becke, Phys. Rev. A 1050-2947 38, 3098 (1988). 10.1103/PhysRevA.38. 3098
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.1
  • 22
    • 5944261746 scopus 로고
    • 0163-1829. 10.1103/PhysRevB.33.8822
    • J. P. Perdew, Phys. Rev. B 0163-1829 33, 8822 (1986). 10.1103/PhysRevB.33.8822
    • (1986) Phys. Rev. B , vol.33 , pp. 8822
    • Perdew, J.P.1
  • 24
    • 36849136337 scopus 로고
    • 0022-2488. 10.1063/1.1703687
    • M. Girardeau, J. Math. Phys. 0022-2488 1, 516 (1960). 10.1063/1.1703687
    • (1960) J. Math. Phys. , vol.1 , pp. 516
    • Girardeau, M.1
  • 26
    • 72449135174 scopus 로고    scopus 로고
    • note
    • We only consider distances d>1/v where both lowest states are bound.
  • 30
    • 72449125037 scopus 로고    scopus 로고
    • note
    • We note that in the case of a long-range soft Coulomb interaction we encountered numerical instabilities at too large distances.
  • 31
    • 23344452814 scopus 로고    scopus 로고
    • Undoing static correlation: Long-range charge transfer in time-dependent density-functional theory
    • DOI 10.1063/1.1924599, 234104
    • N. Maitra, J. Chem. Phys. 0021-9606 122, 234104 (2005). 10.1063/1.1924599 (Pubitemid 41100392)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.23 , pp. 1-6
    • Maitra, N.T.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.