Fundamental view on the calculation of internal partition functions using occupational probabilities

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6 Citations (Scopus)

Abstract

From first principles, the author gathers a few general rules that need to be abided by in the calculation of the internal partition functions (IPFs) of individual molecules. These rules are violated in many schemes in the literature where occupational probabilities are used including those using the Planck-Larkin partition function (PLPF) within the chemical picture. Considering these rules is useful from conceptual and practical points of view. A solution is introduced to assure fulfilling the above mentioned rules when using occupational probabilities. Sample calculations are performed showing quantitative significance of inaccuracies caused by dishonoring such rules.

Original languageEnglish
Pages (from-to)1119-1126
Number of pages8
JournalPhysics Letters, Section A: General, Atomic and Solid State Physics
Volume377
Issue number15
DOIs
Publication statusPublished - Jun 17 2013

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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