Skip to main content

Computation of centrifugal distortion constants from the force field ; example of carbonyl sulphide

Buy Article:

$55.00 plus tax (Refund Policy)

Previous work [1] on the evaluation of rovibrational information directly from the force field has been modified to a form which solves for the energies, but not the eigenfunctions, for more than one value of J . The relative merits of the two approaches are discussed. The numerical values agree and the approaches are about of equal merit for vibrational origins and values of B v for linear molecules, at least for OCS. However, extension to centrifugal distortion parameters is possible with the new form if the Coriolis terms are retained in the matrix of the hamiltonian. The calculations are carried out for OCS with the good agreement shown in table 3 using the previously determined force field.
No Reference information available - sign in for access.
No Citation information available - sign in for access.
No Supplementary Data.
No Article Media
No Metrics

Document Type: Research Article

Affiliations: Department of Physical Chemistry, The University, Newcastle upon Tyne, NE1 7RU

Publication date: 1976-04-01

More about this publication?
  • Access Key
  • Free content
  • Partial Free content
  • New content
  • Open access content
  • Partial Open access content
  • Subscribed content
  • Partial Subscribed content
  • Free trial content
Cookie Policy
Cookie Policy
Ingenta Connect website makes use of cookies so as to keep track of data that you have filled in. I am Happy with this Find out more