Partition Function and the Level Density of the Hindered Rotor -- from Wolfram Library Archive

Title

Partition Function and the Level Density of the Hindered Rotor

Authors

W. Witschel

C. Hartwigsen

Journal / Anthology

Chemical Physics Letters

Year:

1997

Volume:

273

Issue:

5-6

Page range:

304-310

Description

Mathematica 3.0 is used for calculating the eigenvalues, partition function and level density of the hindered rotor by solving the appropriate Mathieu equation. An independent approach is the steepest-descent approximation for the level density. The necessary precise partition function is provided by the Wigner-Kirkwood approximation in order n4. The methods agree, thus solving the problem of level density in reaction kinetics.

Subject

Science > Chemistry

Enable JavaScript to interact with content and submit forms on Wolfram websites. Learn how »