Thermodynamic Extension of Density-functional Theory
by Robert Balawender, Andrzej Holas
Publisher: arXiv 2012
Number of pages: 144
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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by David Ronis - McGill University
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In this volume, experts from the fields of quantum chemistry, computer science and applied mathematics, present recent methodological and computational advances to research students in the field of theoretical chemistry and their applications.
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