Title of article
An accurate closed-form expression for the partition function of Morse oscillators
Author/Authors
Strekalov، نويسنده , , M.L.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2007
Pages
4
From page
209
To page
212
Abstract
On the basis of the Poisson summation formula, an explicit expression is proposed to evaluate the vibrational partition function for a mode with either negative or positive anharmonicity. This formula gives numerical values almost identical to exact values over the entire temperature range from zero to infinity. The developed approximation will also be available in numerical calculations of the whole vibrational partition function for polyatomic molecules.
Journal title
Chemical Physics Letters
Serial Year
2007
Journal title
Chemical Physics Letters
Record number
1921738
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