van der Waals bonds in density-functional theory -: art. no. 032502

被引：69

作者：

Engel, E

Höck, A

Dreizler, RM

机构：

[1] Univ Munich, Sekt Phys, D-80333 Munich, Germany

[2] Goethe Univ Frankfurt, Inst Theoret Phys, D-60054 Frankfurt, Germany

来源：

PHYSICAL REVIEW A | 2000年 / 61卷 / 03期

关键词：

D O I：

10.1103/PhysRevA.61.032502

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

The concept of implicit exchange-correlation energy functionals [optimized potential method (OPM)] is applied to the helium and neon dimers. Using the lowest order correlation functional obtained within Kohn-Sham perturbation theory we find energy surfaces in reasonable quantitative agreement with the exact results, thus demonstrating that the OPM allows a seamless description of van der Waals bond systems.

引用

页数：5

共 32 条

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