 |
HAL Université Côte d'Azur |  |
Journal articles
Ab initio effective rotational Hamiltonians - A comparative study
Abstract : Two independent methods to obtain ab initio effective rotational Hamiltonians have been implemented recently. The first one is based on a generalization of perturbation theory to non-commutative rings, the other one on contact transformation techniques. In principle, both methods are able to give rotational Hamiltonians including centrugal distortion effects of arbitrary high orders. These methods are compared for the first time in this article with regard to calculations of the rotational levels of methane vibrational ground state.
Cited literature [52 references]
https://hal.univ-cotedazur.fr/hal-00588499
Contributor : Patrick Cassam-Chenaï <>
Submitted on : Tuesday, May 17, 2011 - 10:48:13 PM
Last modification on : Tuesday, May 26, 2020 - 6:50:08 PM
Document(s) archivé(s) le : Thursday, August 18, 2011 - 2:30:56 AM
Contributor : Patrick Cassam-Chenaï <>
Submitted on : Tuesday, May 17, 2011 - 10:48:13 PM
Last modification on : Tuesday, May 26, 2020 - 6:50:08 PM
Document(s) archivé(s) le : Thursday, August 18, 2011 - 2:30:56 AM
File
effham-sub-revised.pdf
Publisher files allowed on an open archive
