메뉴 건너뛰기




Volumn 78, Issue 2, 2008, Pages

Simple charge-transfer model to explain the electrical response of hydrogen chains

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE DENSITY; CHARGE TRANSFER; CHEMICAL INDUSTRY; ELECTRIC FIELD EFFECTS; ELECTRIC FIELDS; ELECTROMAGNETIC FIELD THEORY; ELECTROMAGNETIC FIELDS; ELECTRONIC STRUCTURE; FINANCE; FLOW INTERACTIONS; HARDNESS; HYDROGEN; ION EXCHANGE; MASS TRANSFER; MODAL ANALYSIS; NONMETALS; SOLIDS; STANDARDS;

EID: 49749092994     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.78.022513     Document Type: Article
Times cited : (22)

References (28)
  • 3
    • 37649029459 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.93.213002
    • S. Kümmel, L. Kronik, and J. P. Perdew, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.213002 93, 213002 (2004).
    • (2004) Phys. Rev. Lett. , vol.93 , pp. 213002
    • Kümmel, S.1    Kronik, L.2    Perdew, J.P.3
  • 4
    • 28444477624 scopus 로고    scopus 로고
    • CMMSEM 0927-0256 10.1016/j.commatsci.2004.09.057
    • S. Kümmel and L. Kronik, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/j.commatsci.2004.09.057 35, 321 (2006).
    • (2006) Comput. Mater. Sci. , vol.35 , pp. 321
    • Kümmel, S.1    Kronik, L.2
  • 5
    • 41549123517 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.77.121204
    • C. D. Pemmaraju, S. Sanvito, and K. Burke, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.77.121204 77, 121204 (R) (2008).
    • (2008) Phys. Rev. B , vol.77 , pp. 121204
    • Pemmaraju, C.D.1    Sanvito, S.2    Burke, K.3
  • 6
    • 41749086888 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.100.133004
    • T. Körzdörfer, M. Mundt, and S. Kümmel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.133004 100, 133004 (2008).
    • (2008) Phys. Rev. Lett. , vol.100 , pp. 133004
    • Körzdörfer, T.1    Mundt, M.2    Kümmel, S.3
  • 7
    • 0346150047 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1630011
    • P. Mori-Sánchez, Q. Wu, and W. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1630011 119, 11001 (2003).
    • (2003) J. Chem. Phys. , vol.119 , pp. 11001
    • Mori-Sánchez, P.1    Wu, Q.2    Yang, W.3
  • 8
    • 0042113153 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
    • W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 9
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 10
    • 26144450583 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.23.5048
    • J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
    • (1981) Phys. Rev. B , vol.23 , pp. 5048
    • Perdew, J.P.1    Zunger, A.2
  • 18
    • 0942279182 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1633756
    • J. D. Tozer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1633756 119, 12697 (2003).
    • (2003) J. Chem. Phys. , vol.119 , pp. 12697
    • Tozer, J.D.1
  • 19
    • 26844571037 scopus 로고    scopus 로고
    • JPCAFH 1089-5639 10.1021/jp053504y
    • J. D. Tozer and F. De Proft, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp053504y 109, 8923 (2005).
    • (2005) J. Phys. Chem. A , vol.109 , pp. 8923
    • Tozer, J.D.1    De Proft, F.2
  • 22
    • 16244381588 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.454034
    • M. Berkowitz and R. G. Parr, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.454034 88, 2554 (1988).
    • (1988) J. Chem. Phys. , vol.88 , pp. 2554
    • Berkowitz, M.1    Parr, R.G.2
  • 24
    • 0347291894 scopus 로고
    • JACSAT 0002-7863 10.1021/ja00364a005
    • R. G. Parr and R. G. Pearson, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00364a005 105, 7512 (1983).
    • (1983) J. Am. Chem. Soc. , vol.105 , pp. 7512
    • Parr, R.G.1    Pearson, R.G.2
  • 25
    • 49749091804 scopus 로고    scopus 로고
    • M. J. Frisch, GAUSSIAN 03, Gaussian Inc., Wallingford, CT, 2004.
    • (2004)
    • Frisch, M.J.1
  • 26
    • 84986513567 scopus 로고
    • JCCHDD 0192-8651 10.1002/jcc.540110311
    • C. M. Breneman and K. B. Wiberg, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.540110311 11, 361 (1990).
    • (1990) J. Comput. Chem. , vol.11 , pp. 361
    • Breneman, C.M.1    Wiberg, K.B.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.