Analytic vibrational matrix elements for diatomic molecules
| Main Author: | CPC, Mendeley |
|---|---|
| Other Authors: | Bouanich, J.P., Ogilvie, J.F., Tipping, R.H. |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 1986
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| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/ndgp4rmfkf |
Daftar Isi:
- Title of program: VIBMATEL Catalogue Id: AAFQ_v1_0 Nature of problem The vibrational matrix elements and expectation values for a diatomic molecule, including the rotational dependence, are calculated for powers of the reduced displacement in terms of the parameters of the Dunham potential-energy function. Versions of this program held in the CPC repository in Mendeley Data AAFQ_v1_0; VIBMATEL; 10.1016/0010-4655(86)90100-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)