PARTITION-FUNCTION AND THE LEVEL DENSITY OF THE HINDERED ROTOR

Authors
WITSCHEL W HARTWIGSEN C
Citation
W. Witschel et C. Hartwigsen, PARTITION-FUNCTION AND THE LEVEL DENSITY OF THE HINDERED ROTOR, Chemical physics letters, 273(5-6), 1997, pp. 304-310
Citations number
30
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
273
Issue
5-6
Year of publication
1997
Pages
304 - 310
Database
ISI
SICI code
0009-2614(1997)273:5-6<304:PATLDO>2.0.ZU;2-2
Abstract
MATHEMATICA 3.0 is used for calculating the eigenvalues, partition fun ction and level density of the hindered rotor by solving the appropria te Mathieu equation. An independent approach is the steepest-descent a pproximation for the level density. The necessary precise partition fu nction is provided by the Wigner-Kirkwood approximation to order (h) o ver bar(4). The two methods agree, thus solving the problem of level d ensity in reaction kinetics. (C) 1997 Elsevier Science B.V.