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
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