Wavefunction methods in electronic-structure theory of solids

被引:46
作者
Fulde, P [1 ]
机构
[1] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany
关键词
D O I
10.1080/00018730110116371
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The electronic-structure theory of solids is presently dominated by density-functional methods which avoid calculations of the many-body wavefunction, and instead compute directly properties of the ground state. We argue that methods which determine the many-electron wavefunctions should receive particular attention in the future. A survey is given of our present knowledge of how to calculate these wavefunctions for a solid. The accuracy we envisage compares with the one obtainable for small molecules when applying quantum-chemical methods.
引用
收藏
页码:909 / 948
页数:40
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