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Volumn 83, Issue 3, 2011, Pages

Multidomain decomposition approach to time-dependent density functional calculations

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Indexed keywords


EID: 79551614112     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.035118     Document Type: Article
Times cited : (7)

References (31)
  • 1
    • 0012597289 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.52.997
    • E. Runge and E. K. U. Gross, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.52.997 52, 997 (1984).
    • (1984) Phys. Rev. Lett. , vol.52 , pp. 997
    • Runge, E.1    Gross, E.K.U.2
  • 2
    • 0001456831 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.54.4484
    • K. Yabana and G. F. Bertsch, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.4484 54, 4484 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 4484
    • Yabana, K.1    Bertsch, G.F.2
  • 6
    • 0030570285 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/0009-2614(96)00440-X
    • R. Bauernschmitt and R. Ahlrichs, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(96)00440-X 256, 454 (1996).
    • (1996) Chem. Phys. Lett. , vol.256 , pp. 454
    • Bauernschmitt, R.1    Ahlrichs, R.2
  • 9
    • 0242510121 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.448136
    • H. Tal-Ezer and R. Kosloff, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.448136 81, 3967 (1984).
    • (1984) J. Chem. Phys. , vol.81 , pp. 3967
    • Tal-Ezer, H.1    Kosloff, R.2
  • 10
    • 0342702498 scopus 로고
    • JCTPAH 0021-9991 10.1016/0021-9991(83)90015-3
    • D. Kosloff and R. Kosloff, J. Comput. Phys. JCTPAH 0021-9991 10.1016/0021-9991(83)90015-3 52, 35 (1983).
    • (1983) J. Comput. Phys. , vol.52 , pp. 35
    • Kosloff, D.1    Kosloff, R.2
  • 11
    • 0035335815 scopus 로고    scopus 로고
    • Fourth order gradient symplectic integrator methods for solving the time-dependent Schrödinger equation
    • DOI 10.1063/1.1362288
    • (Pubitemid 32508744)
    • (2001) Journal of Chemical Physics , vol.114 , Issue.17 , pp. 7338-7341
    • Chin, S.A.1    Chen, C.R.2
  • 12
    • 0346480997 scopus 로고    scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.61.053411
    • X. Zhou and C. D. Lin, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.61. 053411 61, 053411 (2000).
    • (2000) Phys. Rev. A , vol.61 , pp. 053411
    • Zhou, X.1    Lin, C.D.2
  • 14
    • 42449114107 scopus 로고    scopus 로고
    • Turbo charging time-dependent density-functional theory with Lanczos chains
    • DOI 10.1063/1.2899649
    • D. Rocca, R. Gebauer, Y. Saad, and S. Baroni, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2899649 128, 154105 (2008). (Pubitemid 351574608)
    • (2008) Journal of Chemical Physics , vol.128 , Issue.15 , pp. 154105
    • Rocca, D.1    Gebauer, R.2    Saad, Y.3    Baroni, S.4
  • 16
    • 33645944934 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.55.2850
    • E. K. U. Gross and W. Kohn, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.2850 55, 2850 (1985).
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2850
    • Gross, E.K.U.1    Kohn, W.2
  • 17
    • 33144488780 scopus 로고    scopus 로고
    • Time-dependent density functional theory with ultrasoft pseudopotentials: Real-time electron propagation across a molecular junction
    • DOI 10.1103/PhysRevB.73.035408, 035408
    • Xiaofeng Qian, Ju Li, Xi Lin, and Sidney Yip, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.035408 73, 035408 (2006). (Pubitemid 43270612)
    • (2006) Physical Review B - Condensed Matter and Materials Physics , vol.73 , Issue.3 , pp. 1-11
    • Qian, X.1    Li, J.2    Lin, X.3    Yip, S.4
  • 18
    • 77954828268 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.81.045109
    • K. Varga, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.045109 81, 045109 (2010).
    • (2010) Phys. Rev. B , vol.81 , pp. 045109
    • Varga, K.1
  • 19
    • 19744381066 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.93.176403
    • K. Varga, Z. Zhang, and S. T. Pantelides, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.176403 93, 176403 (2004).
    • (2004) Phys. Rev. Lett. , vol.93 , pp. 176403
    • Varga, K.1    Zhang, Z.2    Pantelides, S.T.3
  • 21
    • 0000054413 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.54.14362
    • E. L. Briggs, D. J. Sullivan, and J. Bernholc, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.14362 54, 14362 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 14362
    • Briggs, E.L.1    Sullivan, D.J.2    Bernholc, J.3
  • 22
    • 0034336263 scopus 로고    scopus 로고
    • RMPHAT 0034-6861 10.1103/RevModPhys.72.1041
    • T. L. Beck, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.72.1041 72, 1041 (2000).
    • (2000) Rev. Mod. Phys. , vol.72 , pp. 1041
    • Beck, T.L.1
  • 23
    • 42749105530 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.69.195113
    • T. Ozaki and H. Kino, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69. 195113 69, 195113 (2004).
    • (2004) Phys. Rev. B , vol.69 , pp. 195113
    • Ozaki, T.1    Kino, H.2
  • 25
    • 70149102016 scopus 로고    scopus 로고
    • CPHCBZ 0010-4655 10.1016/j.cpc.2009.06.022
    • V. Blum, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2009.06.022 180, 2175 (2009).
    • (2009) Comput. Phys. Commun. , vol.180 , pp. 2175
    • Blum, V.1
  • 26
    • 0001563650 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.40.3979
    • O. F. Sankey and D. J. Niklewski, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.40.3979 40, 3979 (1989).
    • (1989) Phys. Rev. B , vol.40 , pp. 3979
    • Sankey, O.F.1    Niklewski, D.J.2
  • 27
    • 79551583175 scopus 로고    scopus 로고
    • cp2k development group
    • cp2k development group, [http://cp2k.berlios.de/].
  • 28
    • 33744623657 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.40.6417
    • Y. Fu, K. A. Chao, and R. Osório, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.40.6417 40, 6417 (1989).
    • (1989) Phys. Rev. B , vol.40 , pp. 6417
    • Fu, Y.1    Chao, K.A.2    Osório, R.3
  • 31
    • 66349123041 scopus 로고    scopus 로고
    • JPCBFK 1520-6106 10.1021/jp900820q
    • N. Spallanzani, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp900820q 113, 5345 (2009).
    • (2009) J. Phys. Chem. B , vol.113 , pp. 5345
    • Spallanzani, N.1


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