Phase-space Rényi entropy, complexity and thermodynamic picture of density functional theory

Phase-space Rényi entropy and complexity are defined within the thermodynamic picture of density functional theory. The structural entropy defined by Pipek, Varga and Nagy, the LMC statistical complexity introduced by López-Ruiz, Mancini and Calbet and generalized complexity proposed by López-Ruiz,...

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Vydáno v:Journal of mathematical chemistry Ročník 61; číslo 2; s. 296 - 304
Hlavní autor: Nagy, Á.
Médium: Journal Article
Jazyk:angličtina
Vydáno: Cham Springer International Publishing 01.02.2023
Springer Nature B.V
Témata:
Chemistry
Chemistry and Materials Science
Complexity
Density functional theory
Energy
Entropy
Entropy (Information theory)
Math. Applications in Chemistry
Original Paper
Physical Chemistry
Theoretical and Computational Chemistry
Thermodynamics
Density functional theory
Rényi entropy
Structural entropy
Complexity
Phase-space
ISSN:0259-9791, 1572-8897
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Shrnutí:Phase-space Rényi entropy and complexity are defined within the thermodynamic picture of density functional theory. The structural entropy defined by Pipek, Varga and Nagy, the LMC statistical complexity introduced by López-Ruiz, Mancini and Calbet and generalized complexity proposed by López-Ruiz, Nagy, Romera and Sanudo are extended to the phase space. It is shown that in case of constant local temperature the logarithm of the phase-space LMC complexity reduces to the position-space structural entropy defined by Pipek et al.
Bibliografie:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 14
ISSN:0259-9791
1572-8897
DOI:10.1007/s10910-022-01347-6