Effects beyond the random-phase approximation in calculating the interaction between metal films -: art. no. 205107

被引:66
作者
Jung, J
García-González, P
Dobson, JF
Godby, RW
机构
[1] Univ Nacl Educ Distancia, Dept Fis Fundamental, E-28080 Madrid, Spain
[2] Univ Autonoma Madrid, Dept Fis Mat Condensada, E-28049 Madrid, Spain
[3] Griffith Univ, Sch Sci, Nathan, Qld 4111, Australia
[4] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England
关键词
D O I
10.1103/PhysRevB.70.205107
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The performance of the adiabatic-connection fluctuation-dissipation theorem is discussed through the implementation of a non-local energy optimized exchange-correlation kernel to account for short-range correlation effects. We evaluate the jellium surface energy, through a painstaking extrapolation of single slab calculations, as well as the binding and interaction energies between two and three jellium slabs. Whereas total electron correlation energies are rather sensitive to the details of the kernel, any physically well-motivated approximation within our framework describes binding energies (including surface energies) within the same level of accuracy.
引用
收藏
页码:205107 / 1
页数:11
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