Local thermodynamical formalism for ensembles of excited states

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5 Citations (Scopus)

Abstract

The thermodynamical formalism of density functional theory is generalized for ensembles of excited states. Ensemble local temperature is defined. A family of novel descriptors of Coulomb systems is introduced.

Original languageEnglish
Pages (from-to)965-969
Number of pages5
JournalIndian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry
Volume53
Issue number8-9
Publication statusPublished - 2014

Fingerprint

Excited states
Density functional theory
density functional theory
formalism
excitation
Temperature
temperature

Keywords

  • Density functional calculations
  • Excited states
  • Theoretical chemistry

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry

Cite this

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title = "Local thermodynamical formalism for ensembles of excited states",
abstract = "The thermodynamical formalism of density functional theory is generalized for ensembles of excited states. Ensemble local temperature is defined. A family of novel descriptors of Coulomb systems is introduced.",
keywords = "Density functional calculations, Excited states, Theoretical chemistry",
author = "A. Nagy",
year = "2014",
language = "English",
volume = "53",
pages = "965--969",
journal = "Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry",
issn = "0376-4710",
publisher = "Scientific Publishers of India",
number = "8-9",

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PY - 2014

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KW - Excited states

KW - Theoretical chemistry

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VL - 53

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JO - Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry

JF - Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry

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