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Thermodynamic Extension of Density-functional Theory 

by Robert Balawender, Andrzej Holas

Publisher: arXiv 2012

Thermodynamic extension of density-functional theory. I. Basic Massieu function, its Legendre and Massieu-Planck transforms for equilibrium state in terms of density matrix

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Thermodynamic extension of density-functional theory. II. Finite-temperature ensemble spin-density functional theory

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Thermodynamic extension of density-functional theory. III. Zero-temperature limit of the ensemble spin-density functional theory

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Description of this Ebook

Density-functional theory is a rigorous approach for describing the ground state of any electronic system. Topics: Basic Massieu function, its Legendre and Massieu-Planck transforms for equilibrium state in terms of density matrix; Finite-temperature ensemble spin-density functional theory; Zero-temperature limit of the ensemble spin-density functional theory.

 


 


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