Pair density functional theory for excited states of Coulomb systems

被引：0
|
作者：
Á. Nagy
机构：
[1] University of Debrecen,Department of Theoretical Physics
来源：
Theoretical Chemistry Accounts | 2023年 / 142卷
关键词：
Pair density functional theory; Excited states; Coulomb systems; Pauli potential; Euler equation;
D O I：
暂无
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学科分类号：
摘要：
Pair density functional theory is extended to excited states of Coulomb systems. It is shown that the pair density determines the Hamiltonian of the Coulomb system. A universal kinetic energy functional appropriate for the ground and all bound excited states is defined. The Euler equation can be rewritten as a two-particle auxiliary equation in which the unknown Pauli-like potential should be approximated.
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