Generalized quantum similarity in atomic systems: A quantifier of relativistic effects

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• 作者：A.L. Mart&iacute ; n^a ; J.C. Angulo^a ; ^d ; ^{angulo@ugr.es} ; J. Antol&iacute ; n^b ; ^d ; S. L&oacute ; pez-Rosa^c ; ^d
• 关键词：Quantum similarity ; Kullback&ndash ; Leibler and Jensen&ndash ; Shannon divergence measures ; Atomic shell-structure ; Hartree&ndash ; Fock and Dirac&ndash ; Fock radial densities
• 刊名：Physica A: Statistical Mechanics and its Applications
• 出版年：2017
• 出版时间：1 February 2017
• 年：2017
• 卷：467
• 期：Complete
• 页码：315-325
• 全文大小：665 K
• 卷排序：467

文摘

Generalized Similarity (QSIqQSIq) among Hartree–Fock and ​Dirac–Fock atomic densities. QSIqQSIq scans the behavior of HF and DF densities through specific regions. Study of structural patterns and differences among HF and DF radial densities. Enhancement of relativistic effects on valence region. Improvement of previous similarity- and divergence-based analyses.