Constraint satisfaction in local and gradient susceptibility approximations: Application to a van der Waals density functional

被引:177
作者
Dobson, JF
Dinte, BP
机构
[1] Faculty of Science and Technology, Griffith University, Nathan, QLD
关键词
D O I
10.1103/PhysRevLett.76.1780
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We show how charge conservation and reciprocity can be built into local density or gradient approximations for density-density response functions (susceptibilities). We apply these ideas to derive from first principles a variant of the Rapcewicz-Ashcroft formula for the van der Waals interaction. We also discuss how improved formulas may be obtained.
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页码:1780 / 1783
页数:4
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