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Volumn 78, Issue 23, 2008, Pages

Electronic structure analysis of self-consistent embedding theory for quantum/molecular mechanics simulations

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Indexed keywords


EID: 58149456923     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.235119     Document Type: Article
Times cited : (15)

References (24)
  • 2
    • 33846570818 scopus 로고    scopus 로고
    • 10.1007/s00214-006-0143-z
    • H. Lin and D. G. Truhlar, Theor. Chem. Acc. 117, 185 (2007). 10.1007/s00214-006-0143-z
    • (2007) Theor. Chem. Acc. , vol.117 , pp. 185
    • Lin, H.1    Truhlar, D.G.2
  • 7
    • 37149029660 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.76.245111
    • X. Zhang and G. Lu, Phys. Rev. B 76, 245111 (2007). 10.1103/PhysRevB.76. 245111
    • (2007) Phys. Rev. B , vol.76 , pp. 245111
    • Zhang, X.1    Lu, G.2
  • 8
    • 34047262363 scopus 로고
    • 10.1103/PhysRevB.44.8454
    • P. Cortona, Phys. Rev. B 44, 8454 (1991). 10.1103/PhysRevB.44.8454
    • (1991) Phys. Rev. B , vol.44 , pp. 8454
    • Cortona, P.1
  • 9
    • 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
  • 10
    • 0001689864 scopus 로고
    • 10.1103/PhysRevB.45.13196
    • L. W. Wang and M. P. Teter, Phys. Rev. B 45, 13196 (1992). 10.1103/PhysRevB.45.13196
    • (1992) Phys. Rev. B , vol.45 , pp. 13196
    • Wang, L.W.1    Teter, M.P.2
  • 13
    • 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
  • 14
    • 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
  • 15
  • 17
    • 26144450583 scopus 로고
    • 10.1103/PhysRevB.23.5048
    • J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981). 10.1103/PhysRevB.23.5048
    • (1981) Phys. Rev. B , vol.23 , pp. 5048
    • Perdew, J.P.1    Zunger, A.2
  • 18
  • 20
    • 0141753037 scopus 로고
    • 10.1103/PhysRevB.19.4906
    • N. W. Ashcroft, Phys. Rev. B 19, 4906 (1979). 10.1103/PhysRevB.19.4906
    • (1979) Phys. Rev. B , vol.19 , pp. 4906
    • Ashcroft, N.W.1
  • 22
    • 84981633372 scopus 로고
    • 10.1002/qua.560560407
    • W. Kohn, Int. J. Quantum Chem. 56, 229 (1995). 10.1002/qua.560560407
    • (1995) Int. J. Quantum Chem. , vol.56 , pp. 229
    • Kohn, W.1


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