Accurate treatment of van der Waals interactions in density functional theory using dispersion correcting potentials

被引:0
|
作者
Torres, Edmanuel [1 ]
DiLabio, Gino A. [1 ]
机构
[1] Natl Inst Nanotechnol, Edmonton, AB T6G 2M9, Canada
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
491-COMP
引用
收藏
页数:1
相关论文
共 50 条
  • [1] Van der waals interactions in density functional theory
    Hult, Erika
    Doktorsavhandlingar vid Chalmers Tekniska Hogskola, 1999, (1501): : 1 - 68
  • [2] Van der waals interactions in density functional theory
    Andersson, Y
    Hult, E
    Rydberg, H
    Apell, P
    Lundqvist, BI
    Langreth, DC
    ELECTRONIC DENSITY FUNCTIONAL THEORY: RECENT PROGRESS AND NEW DIRECTIONS, 1998, : 243 - 260
  • [3] Van der Waals interactions studied by density functional theory
    Sato, T
    Tsuneda, T
    Hirao, K
    MOLECULAR PHYSICS, 2005, 103 (6-8) : 1151 - 1164
  • [4] van der Waals interactions in density-functional theory
    Andersson, Y
    Langreth, DC
    Lundqvist, BI
    PHYSICAL REVIEW LETTERS, 1996, 76 (01) : 102 - 105
  • [5] Van der Waals density functional from multipole dispersion interactions
    de Lima, Neemias Alves
    JOURNAL OF CHEMICAL PHYSICS, 2010, 132 (01):
  • [6] van der Waals Interactions in Density Functional Theory Using Wannier Functions
    Silvestrelli, Pier Luigi
    JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 113 (17): : 5224 - 5234
  • [7] Accurate van der Waals coefficients from density functional theory
    Tao, Jianmin
    Perdew, John P.
    Ruzsinszky, Adrienn
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2012, 109 (01) : 18 - 21
  • [8] Van der Waals interactions at surfaces by density functional theory using Wannier functions
    Silvestrelli, Pier Luigi
    Benyahia, Karima
    Grubisic, Sonja
    Ancilotto, Francesco
    Toigo, Flavio
    JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (07):
  • [9] Empirical correction to density functional theory for van der Waals interactions
    Wu, Q
    Yang, WT
    JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (02): : 515 - 524
  • [10] Nonempirical density-functional theory for van der Waals interactions
    Becke, Axel D.
    Arabi, Alya A.
    Kannemann, Felix O.
    CANADIAN JOURNAL OF CHEMISTRY, 2010, 88 (11) : 1057 - 1062