A simple and exact double formula expression is proposed to evaluate the partition function of free internal rotation. This expression has the correct behaviour for both temperature limits and gives accurate numerical values for all thermodynamic functions.
On the partition function of free internal rotation. A semiclassical approach
β Scribed by Hui-yun Pan
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 161 KB
- Volume
- 151
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
On the basis of the semiclassical approximation, a new formula is proposed to evaluate the partition function of free internal rotation. This formula has correct limiting behavior and for a given temperature it gives accurate numerical values for the partition function and related thermodynamic functions.
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