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An accurate closed-form expression for the rovibrational partition function of diatomic molecules
- Source :
- Chemical Physics Letters. 764:138262
- Publication Year :
- 2021
- Publisher :
- Elsevier BV, 2021.
-
Abstract
- 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.
- Subjects :
- Physics
Partition function (quantum field theory)
Series (mathematics)
General Physics and Astronomy
02 engineering and technology
Rotational–vibrational spectroscopy
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
Diatomic molecule
0104 chemical sciences
Isotonic
Physics::Atomic and Molecular Clusters
Physics::Chemical Physics
Physical and Theoretical Chemistry
Closed-form expression
0210 nano-technology
Quantum statistical mechanics
Mathematical physics
Analytic function
Subjects
Details
- ISSN :
- 00092614
- Volume :
- 764
- Database :
- OpenAIRE
- Journal :
- Chemical Physics Letters
- Accession number :
- edsair.doi...........004d4b9b7484e580e887ca487a19a35e