PERTURBATION EXPANSION OF VARIATIONAL-PRINCIPLES AT ARBITRARY ORDER

被引:272
|
作者
GONZE, X
机构
[1] Unité de Physico-Chimie et de Physique des Matériaux, Université Catholique de Louvain
来源
PHYSICAL REVIEW A | 1995年 / 52卷 / 02期
关键词
D O I
10.1103/PhysRevA.52.1086
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
When perturbation theory is applied to a quantity for which a variational principle holds (eigenenergies of Hamiltonians, Hartree-Fock or density-functional-theory energy, etc.), different variational perturbation theorems can be derived. A general demonstration of the existence of variational principles for an even order of perturbation, when constraints are present, is provided here. Explicit formulas for these variational principles for even orders of perturbation, as well as for the ''2n + 1 theorem,'' to any order of perturbation, with or without constraints, are also exhibited. This approach is applied to the case of eigenenergies of quantum-mechanical Hamiltonians, studied previously by other methods.
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页码:1086 / 1095
页数:10
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