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Volumn 95, Issue 1, 2005, Pages

Idempotency-conserving iteration scheme for the one-electron density matrix

Author keywords

[No Author keywords available]

Indexed keywords

ABINITIO HARTREE-FOCK LEVELS; CHEMICAL POTENTIAL; ITERATION CONVERGES; ONE-ELECTRON DENSITY MATRIX;

EID: 27144519896     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.95.013002     Document Type: Article
Times cited : (15)

References (23)
  • 2
    • 16644372744 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.460030
    • Roland Reidinger and Marc Benard, J. Chem. Phys. 94, 1222 (1991). JCPSA6 0021-9606 10.1063/1.460030
    • (1991) J. Chem. Phys. , vol.94 , pp. 1222
    • Reidinger, R.1    Benard, M.2
  • 3
    • 24544432103 scopus 로고
    • PHRVAO. 0031-899X. 10.1103/PhysRev.97.1474
    • P.-O. Löwdin, Phys. Rev. PHRVAO 0031-899X 97, 1474 (1955). 10.1103/PhysRev.97.1474
    • (1955) Phys. Rev. , vol.97 , pp. 1474
    • Löwdin, P.-O.1
  • 4
    • 33750181960 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.126.1028
    • R. McWeeny, Phys. Rev. PHRVAO 0031-899X 126, 1028 (1962). 10.1103/PhysRev.126.1028
    • (1962) Phys. Rev. , vol.126 , pp. 1028
    • McWeeny, R.1
  • 5
    • 35949007371 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.47.10891
    • X.P. Li, R.W. Nunes, and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 47, 10891 (1993). 10.1103/PhysRevB.47.10891
    • (1993) Phys. Rev. B , vol.47 , pp. 10891
    • Li, X.P.1    Nunes, R.W.2    Vanderbilt, D.3
  • 6
    • 0001514496 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.477969
    • Matt Challacombe, J. Chem. Phys. 110, 2332 (1999). JCPSA6 0021-9606 10.1063/1.477969
    • (1999) J. Chem. Phys. , vol.110 , pp. 2332
    • Challacombe, M.1
  • 7
    • 0001241557 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.58.12704
    • A.H.R. Palser and D.E. Manolopoulos, Phys. Rev. B PRBMDO 0163-1829 58, 12704 (1998). 10.1103/PhysRevB.58.12704
    • (1998) Phys. Rev. B , vol.58 , pp. 12704
    • Palser, A.H.R.1    Manolopoulos, D.E.2
  • 8
    • 0011621942 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.66.1438
    • W. Yang, Phys. Rev. Lett. PRLTAO 0031-9007 66, 1438 (1991). 10.1103/PhysRevLett.66.1438
    • (1991) Phys. Rev. Lett. , vol.66 , pp. 1438
    • Yang, W.1
  • 9
    • 0001241212 scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.44.7823
    • W. Yang, Phys. Rev. A PLRAAN 1050-2947 44, 7823 (1991). 10.1103/PhysRevA.44.7823
    • (1991) Phys. Rev. A , vol.44 , pp. 7823
    • Yang, W.1
  • 10
    • 0043144732 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.470549
    • W. Yang and T.-S. Lee, J. Chem. Phys. 103, 5674 (1995). JCPSA6 0021-9606 10.1063/1.470549
    • (1995) J. Chem. Phys. , vol.103 , pp. 5674
    • Yang, W.1    Lee, T.-S.2
  • 11
    • 0001067557 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.58.15296
    • R. Baer and M. Head-Gordon, Phys. Rev. B PRBMDO 0163-1829 58, 15296 (1998). 10.1103/PhysRevB.58.15296
    • (1998) Phys. Rev. B , vol.58 , pp. 15296
    • Baer, R.1    Head-Gordon, M.2
  • 12
    • 42749109153 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.70.205105
    • A. Kenoufi and J. Polonyi, Phys. Rev. B PRBMDO 0163-1829 70, 205105 (2004). 10.1103/PhysRevB.70.205105
    • (2004) Phys. Rev. B , vol.70 , pp. 205105
    • Kenoufi, A.1    Polonyi, J.2
  • 13
    • 0038646853 scopus 로고    scopus 로고
    • JCPSA6. 0021-9606. 10.1063/1.1308546
    • K. Németh and G.E. Scuseria, J. Chem. Phys. 113, 6035 (2000). JCPSA6 0021-9606 10.1063/1.1308546
    • (2000) J. Chem. Phys. , vol.113 , pp. 6035
    • Németh, K.1    Scuseria, G.E.2
  • 14
    • 0033246389 scopus 로고    scopus 로고
    • RMPHAT 0034-6861 10.1103/RevModPhys.71.1085
    • Stefan Goedecker, Rev. Mod. Phys. 71, 1085 (1999). RMPHAT 0034-6861 10.1103/RevModPhys.71.1085
    • (1999) Rev. Mod. Phys. , vol.71 , pp. 1085
    • Goedecker, S.1
  • 15
    • 0000565365 scopus 로고    scopus 로고
    • PRPLCM 0370-1573 10.1016/S0370-1573(01)00035-7
    • S.Y. Wu and C.S. Jayanthi, Phys. Rep. PRPLCM 0370-1573 358, 1 (2002). 10.1016/S0370-1573(01)00035-7
    • (2002) Phys. Rep. , vol.358 , pp. 1
    • Wu, S.Y.1    Jayanthi, C.S.2
  • 16
    • 1442354768 scopus 로고    scopus 로고
    • PLEEE8 1063-651X 10.1103/PhysRevE.68.066701
    • D.A. Mazziotti, Phys. Rev. E 68, 066701 (2003). PLEEE8 1063-651X 10.1103/PhysRevE.68.066701
    • (2003) Phys. Rev. e , vol.68 , pp. 066701
    • Mazziotti, D.A.1
  • 17
    • 0842278624 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.68.233104
    • A.M.N. Niklasson, Phys. Rev. B PRBMDO 0163-1829 68, 233104 (2003). 10.1103/PhysRevB.68.233104
    • (2003) Phys. Rev. B , vol.68 , pp. 233104
    • Niklasson, A.M.N.1
  • 18
    • 0000160636 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/S0009-2614(00)00007-5
    • Eugene S. Kryachko, Chem. Phys. Lett. CHPLBC 0009-2614 318, 210 (2000). 10.1016/S0009-2614(00)00007-5
    • (2000) Chem. Phys. Lett. , vol.318 , pp. 210
    • Eugene, S.1    Kryachko2
  • 19
    • 0000098854 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/S0009-2614(01)00409-2
    • A. Holas, Chem. Phys. Lett. CHPLBC 0009-2614 340, 552 (2001). 10.1016/S0009-2614(01)00409-2
    • (2001) Chem. Phys. Lett. , vol.340 , pp. 552
    • Holas, A.1
  • 20
    • 0035829706 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1412002
    • D.A. Mazziotti, J. Chem. Phys. 115, 8305 (2001). JCPSA6 0021-9606 10.1063/1.1412002
    • (2001) J. Chem. Phys. , vol.115 , pp. 8305
    • Mazziotti, D.A.1
  • 21
    • 0003582543 scopus 로고
    • Cambridge University Press, Cambridge
    • Edward Ott, Chaos in Dynamical Systems (Cambridge University Press, Cambridge, 1993).
    • (1993) Chaos in Dynamical Systems
    • Ott, E.1
  • 23
    • 5244240756 scopus 로고    scopus 로고
    • JCPSA6. 0021-9606. 10.1063/1.473579
    • K. Németh and G.E. Scuseria, J. Chem. Phys. 106, 5569 (1997). JCPSA6 0021-9606 10.1063/1.473579
    • (1997) J. Chem. Phys. , vol.106 , pp. 5569
    • Németh, K.1    Scuseria, G.E.2


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