On the rovibrational partition function of molecular hydrogen at high temperatures

Authors
Riganelli, A Prudente, FV Varandas, AJC
Citation
A. Riganelli et al., On the rovibrational partition function of molecular hydrogen at high temperatures, J PHYS CH A, 105(41), 2001, pp. 9518-9521
Citations number
33
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
105
Issue
41
Year of publication
2001
Pages
9518 - 9521
Database
ISI
SICI code
1089-5639(20011018)105:41<9518:OTRPFO>2.0.ZU;2-6
Abstract
We report a comparative study of the vibrational and rovibrational partitio n functions using several quantum and classical statistical mechanics appro aches. The calculations refer to H-2, but the conclusions are anticipated t o be valid also for larger systems.