Analytical Non-Boltzmann vibrational distributions and their influence on vibrational partition function

Autor:	Marcin Buchowiecki
Rok vydání:	2021
Předmět:	Physics 010304 chemical physics Applied Mathematics 010102 general mathematics General Chemistry 01 natural sciences Molecular physics symbols.namesake Distribution (mathematics) Vibrational partition function Phase space 0103 physical sciences Boltzmann constant symbols Piecewise Physics::Chemical Physics 0101 mathematics Rotational partition function Quantum Vibrational temperature
Zdroj:	Journal of Mathematical Chemistry. 59:444-458
ISSN:	1572-8897 0259-9791
Popis:	The analytical forms of non-Boltzmann vibrational distributions are studied by means of the vibrational partition function which, being the cumulative quantity, allows to detect general differences in behavior of vibrational distributions. Various forms of the Treanor distributions are studied in both discrete (sum of quantum vibrational levels) and continuous manners (classical values from integration over the phase space). The advantages of the continuous forms of distributions are pointed out (in both classical and quantum vibrational temperature regimes). The typical distribution is not properly described by the Treanor forms so the values based on continuous form of the piecewise Treanor-Hyperbolic distribution are given. The influence of vibrational excitation on rotational partition function is quantified.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::180e600340925523eca6c4890d72be80 https://doi.org/10.1007/s10910-020-01207-1 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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