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Extension of the quantum virial and Hellmann–Feynman theorems to the quantum statistical averages
Author(s) -
Popov Dušan
Publication year - 1998
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1998)69:2<159::aid-qua3>3.0.co;2-u
Subject(s) - virial theorem , quantum , feynman diagram , virial coefficient , mathematical physics , extension (predicate logic) , quantum mechanics , physics , observable , quantum statistical mechanics , statistical physics , mathematics , galaxy , computer science , programming language
In the present article, we extended the quantum virial and Hellmann–Feynman theorems to the quantum statistical averages, that is, to the thermal states. We obtained some new formulas which make possible expressing the thermodynamical observables of the system as functions of the moments of coordinates, as we see in a short example relating to the pseudoharmonical oscillator. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 69: 159–165, 1998