메뉴 건너뛰기




Volumn 141, Issue 4, 2014, Pages

Infrared absorption and Raman scattering spectra of water under pressure via first principles molecular dynamics

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; COMPUTATIONAL CHEMISTRY; LIGHT ABSORPTION; MOLECULAR DYNAMICS;

EID: 84905659318     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4890369     Document Type: Article
Times cited : (17)

References (42)
  • 6
    • 12044256522 scopus 로고
    • 10.1103/RevModPhys.66.899
    • R. Resta, Rev. Mod. Phys. 66, 899 (1994). 10.1103/RevModPhys.66.899
    • (1994) Rev. Mod. Phys. , vol.66 , pp. 899
    • Resta, R.1
  • 11
  • 12
    • 4243690324 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.56.12847
    • N. Marzari and D. Vanderbilt, Phys. Rev. B 56, 12847 (1997). 10.1103/PhysRevB.56.12847
    • (1997) Phys. Rev. B , vol.56 , pp. 12847
    • Marzari, N.1    Vanderbilt, D.2
  • 16
    • 84867787626 scopus 로고    scopus 로고
    • 10.1063/1.4742151
    • T. Ikeda and M. Boero, J. Chem. Phys. 137, 041101 (2012). 10.1063/1.4742151
    • (2012) J. Chem. Phys. , vol.137 , pp. 041101
    • Ikeda, T.1    Boero, M.2
  • 17
    • 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
    • Hohenberg, P.1    Kohn, W.2
  • 18
    • 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
    • Kohn, W.1    Sham, L.J.2
  • 19
    • 84905659241 scopus 로고    scopus 로고
    • IBM Corp, 1990-2008, MPI für Festkörperforshung Stuttgart, 1997-2001
    • CPMD, IBM Corp, 1990-2008, MPI für Festkörperforshung Stuttgart, 1997-2001. See http://www.cpmd.org.
  • 20
    • 4243553426 scopus 로고
    • 10.1103/PhysRevA.38.3098
    • A. D. Becke, Phys. Rev. A 38, 3098 (1988). 10.1103/PhysRevA.38.3098
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 21
  • 22
    • 33750559983 scopus 로고    scopus 로고
    • 10.1002/jcc.20495
    • S. Grimme, J. Comput. Chem. 27, 1787 (2006). 10.1002/jcc.20495
    • (2006) J. Comput. Chem. , vol.27 , pp. 1787
    • Grimme, S.1
  • 33
    • 34547809547 scopus 로고
    • 10.1063/1.447334
    • S. Nosé, J. Chem. Phys. 81, 511 (1984). 10.1063/1.447334
    • (1984) J. Chem. Phys. , vol.81 , pp. 511
    • Nosé, S.1
  • 34
    • 0001538909 scopus 로고
    • 10.1103/PhysRevA.31.1695
    • W. G. Hoover, Phys. Rev. A 31, 1695 (1985). 10.1103/PhysRevA.31.1695
    • (1985) Phys. Rev. A , vol.31 , pp. 1695
    • Hoover, W.G.1
  • 35
    • 0034662899 scopus 로고    scopus 로고
    • 10.1016/S0301-0104(00)00179-8
    • A. K. Soper, Chem. Phys. 258, 121 (2000). 10.1016/S0301-0104(00)00179-8
    • (2000) Chem. Phys. , vol.258 , pp. 121
    • Soper, A.K.1
  • 37
    • 0030204999 scopus 로고    scopus 로고
    • 10.1366/0003702963905385
    • J. E. Bertie and Z. Lan, Appl. Spectrosc. 50, 1047 (1996). 10.1366/0003702963905385
    • (1996) Appl. Spectrosc. , vol.50 , pp. 1047
    • Bertie, J.E.1    Lan, Z.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.