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Relative information in excited‐state orbital‐free density functional theory
International Journal of Quantum Chemistry ( IF 2.3 ) Pub Date : 2020-09-04 , DOI: 10.1002/qua.26405
Ágnes Nagy 1
Affiliation  

Euler equations of the orbital‐free excited‐state density functional theory of Coulomb systems are derived for specific relative information. Derivation via variational extremization of the relative Fisher information is also presented. Relationships between the Fisher and Shannon information, the local wave vector, and the relative information are displayed.

中文翻译:

激发态无轨道密度泛函理论中的相对信息

推导了库仑系统的无轨道激发态密度泛函理论的欧拉方程,以获取特定的相对信息。还介绍了通过相对Fisher信息的变分极值化推导的方法。显示Fisher和Shannon信息,局部波矢和相对信息之间的关系。
更新日期:2020-10-30
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