An accurate closed-form expression for the rovibrational partition function of diatomic molecules

被引：7
|
作者：
Strekalov, Mikhail L. [1 ]
机构：
[1] Russian Acad Sci, Siberian Branch, Inst Chem Kinet & Combust, Novosibirsk 630090, Russia
来源：
CHEMICAL PHYSICS LETTERS | 2021年 / 764卷
关键词：
THERMODYNAMIC PROPERTIES; SCHRODINGER-EQUATION; STATE SOLUTIONS; DENSITIES;
D O I：
10.1016/j.cplett.2020.138262
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The rovibrational partition function is expressed in terms of analytic functions using summation formula. It is derived for a double series, which represents the rovibrational partition function in quantum statistical mechanics. With the summation formula obtained, the rovibrational partition function of isotonic oscillator is calculated in an analytic form and its temperature dependence is analyzed carefully.
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页数：6
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