Density functional for van der Waals forces at surfaces

被引:108
|
作者
Hult, E
Andersson, Y
Lundqvist, BI
Langreth, DC
机构
[1] UNIV GOTHENBURG,S-41296 GOTHENBURG,SWEDEN
[2] RUTGERS STATE UNIV,DEPT PHYS & ASTRON,PISCATAWAY,NJ 08855
关键词
D O I
10.1103/PhysRevLett.77.2029
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The applicability of density-functional theory is extended to physisorption at surfaces by a proposal for the form of the long-range nonlocal exchange-correlation functional E(xc). The functional is applied successfully to physisorption of He, Be, and H-2 on jellium and of H-2 on the low-indexed faces of Al.
引用
收藏
页码:2029 / 2032
页数:4
相关论文
共 50 条
  • [31] Determination of van der Waals forces
    Massey, HSW
    Bucikingham, RA
    NATURE, 1936, 138 : 77 - 77
  • [32] VAN DER WAALS FORCES IN ELECTROLYTES
    DAVIES, B
    NINHAM, BW
    JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (12): : 5797 - &
  • [33] The van der waals forces in gases
    Slater, JC
    Kirkwood, JG
    PHYSICAL REVIEW, 1931, 37 (06): : 682 - 697
  • [34] VAN DER WAALS FORCES IN FERRODIELECTRICS
    GANN, VV
    SOVIET PHYSICS JETP-USSR, 1968, 27 (03): : 529 - &
  • [35] VAN DER WAALS FORCES IN SOLIDS
    MAHAN, GD
    JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (05): : 1569 - &
  • [36] On the van-der-Waals forces
    Maslov, V. P.
    MATHEMATICAL NOTES, 2016, 99 (1-2) : 284 - 289
  • [37] On the dispersive van der Waals forces
    Farina, C
    Santos, FC
    Tort, AC
    INTERNATIONAL JOURNAL OF MODERN PHYSICS A, 2002, 17 (6-7): : 794 - 797
  • [38] Van Der Waals forces in Helium
    Page, CH
    PHYSICAL REVIEW, 1938, 53 (05): : 426 - 430
  • [39] Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality
    Patra, Abhirup
    Bates, Jefferson E.
    Sun, Jianwei
    Perdew, John P.
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2017, 114 (44) : E9188 - E9196
  • [40] Glycerol Adsorption on Platinum Surfaces: A Density Functional Theory Investigation with van der Waals Corrections
    Tereshchuk, Polina
    Chaves, Anderson S.
    Da Silva, Juarez L. F.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 118 (28): : 15251 - 15259