Phase-space relative Rényi entropy in density functional theory

被引:0
|
作者
Nagy, Agnes [1 ,2 ]
机构
[1] Univ Debrecen, Dept Theoret Phys, Debrecen, Hungary
[2] Univ Debrecen, Dept Theoret Phys, H-4002 Debrecen, Hungary
关键词
density functional theory; phase-space relative Renyi entropy; LOCAL KINETIC-ENERGY; INFORMATION-ENTROPY; TRANSCRIPTION; SIMILARITY; COMPLEXITY; SHANNON;
D O I
10.1002/qua.27226
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The phase-space relative Renyi entropy is introduced using the information theoretical and thermodynamic view of density functional theory. In the special case of constant inverse temperature the phase-space relative Renyi entropy is a sum of the position-space relative Renyi entropy and a term arising from the momentum space. This quantity can be considered as a measure of similarity. It includes more information than the position-space measures, since it also incorporates momentum-space knowledge. The phase-space relative Renyi entropy is introduced using the information theoretical and thermodynamic view of density functional theory. In the special case of constant inverse temperature the phase-space relative Renyi entropy is a sum of the position-space relative Renyi entropy and a term arising from the momentum space. This quantity can be considered as a measure of similarity. It includes more information than the position-space measures, it also incorporates momentum-space knowledge. image
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页数:8
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