메뉴 건너뛰기




Volumn 79, Issue 15, 2009, Pages

Implementing and testing the AM05 spin density functional

Author keywords

[No Author keywords available]

Indexed keywords


EID: 65149084928     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.155101     Document Type: Article
Times cited : (119)

References (31)
  • 1
    • 10644250257 scopus 로고
    • 10.1103/PhysRev.136.B864
    • P. Hohenberg and W. Kohn, Phys. Rev. 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
    • 10.1103/PhysRev.140.A1133
    • W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 3
    • 5444237332 scopus 로고
    • 10.1088/0022-3719/5/13/012
    • U. von Barth and L. Hedin, J. Phys. C 5, 1629 (1972). 10.1088/0022-3719/5/13/012
    • (1972) J. Phys. C , vol.5 , pp. 1629
    • Von Barth, U.1    Hedin, L.2
  • 5
    • 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
  • 7
    • 44449116684 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.77.195445
    • M. Ropo, K. Kokko, and L. Vitos, Phys. Rev. B 77, 195445 (2008). 10.1103/PhysRevB.77.195445
    • (2008) Phys. Rev. B , vol.77 , pp. 195445
    • Ropo, M.1    Kokko, K.2    Vitos, L.3
  • 8
    • 61549134825 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.79.085104
    • P. Haas, F. Tran, and P. Blaha, Phys. Rev. B 79, 085104 (2009). 10.1103/PhysRevB.79.085104
    • (2009) Phys. Rev. B , vol.79 , pp. 085104
    • Haas, P.1    Tran, F.2    Blaha, P.3
  • 11
    • 0037109986 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.66.165117
    • R. Armiento and A. E. Mattsson, Phys. Rev. B 66, 165117 (2002). 10.1103/PhysRevB.66.165117
    • (2002) Phys. Rev. B , vol.66 , pp. 165117
    • Armiento, R.1    Mattsson, A.E.2
  • 12
    • 33645898818 scopus 로고
    • 10.1103/PhysRevB.45.13244
    • J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). 10.1103/PhysRevB.45.13244
    • (1992) Phys. Rev. B , vol.45 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2
  • 14
    • 0001166705 scopus 로고    scopus 로고
    • 10.1103/PhysRevLett.81.3487
    • W. Kohn and A. E. Mattsson, Phys. Rev. Lett. 81, 3487 (1998). 10.1103/PhysRevLett.81.3487
    • (1998) Phys. Rev. Lett. , vol.81 , pp. 3487
    • Kohn, W.1    Mattsson, A.E.2
  • 15
    • 35949027123 scopus 로고
    • 10.1103/PhysRevB.1.4555
    • N. D. Lang and W. Kohn, Phys. Rev. B 1, 4555 (1970). 10.1103/PhysRevB.1. 4555
    • (1970) Phys. Rev. B , vol.1 , pp. 4555
    • Lang, N.D.1    Kohn, W.2
  • 16
  • 17
    • 0035131452 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.63.045116
    • J. M. Pitarke and A. G. Eguiluz, Phys. Rev. B 63, 045116 (2001). 10.1103/PhysRevB.63.045116
    • (2001) Phys. Rev. B , vol.63 , pp. 045116
    • Pitarke, J.M.1    Eguiluz, A.G.2
  • 20
    • 65149099978 scopus 로고    scopus 로고
    • Subroutines are available at the AM05 web site:
    • Subroutines are available at the AM05 web site: http://dft.sandia.gov/ functionals/AM05.html.
  • 21
    • 65149090277 scopus 로고    scopus 로고
    • E-PRBMDO-79-084911 for a subroutine for calculating the Lambert W function required in implementations of AM05. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage
    • See EPAPS Document No E-PRBMDO-79-084911 for a subroutine for calculating the Lambert W function required in implementations of AM05. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html).
  • 22
    • 0000933655 scopus 로고
    • 10.1103/PhysRevB.50.4954
    • J. A. White and D. M. Bird, Phys. Rev. B 50, 4954 (1994). 10.1103/PhysRevB.50.4954
    • (1994) Phys. Rev. B , vol.50 , pp. 4954
    • White, J.A.1    Bird, D.M.2
  • 24
    • 12844286241 scopus 로고
    • 10.1103/PhysRevB.47.558;
    • G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993) 10.1103/PhysRevB.47. 558
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 25
    • 27744460065 scopus 로고
    • 10.1103/PhysRevB.49.14251;
    • G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994) 10.1103/PhysRevB.49.14251
    • (1994) Phys. Rev. B , vol.49 , pp. 14251
    • Kresse, G.1    Hafner, J.2
  • 26
  • 28
    • 2542627141 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.67.214103
    • D. E. Jiang and E. A. Carter, Phys. Rev. B 67, 214103 (2003). 10.1103/PhysRevB.67.214103
    • (2003) Phys. Rev. B , vol.67 , pp. 214103
    • Jiang, D.E.1    Carter, E.A.2
  • 30


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.