A fast quadrature method for computing diatomic RKR potential curves
| Main Author: | CPC, Mendeley |
|---|---|
| Other Authors: | Tellinghuisen, Joel |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 1973
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| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/44gp9yhp3f |
Daftar Isi:
- Title of program: RKRPOT Catalogue Id: AAEE_v1_0 Nature of problem The RKR method provides a prescription for computing diatomic potential curves from empirical spectroscopic parameters. The right- and left- hand turning points on the curve are related to the spectroscopic quantities through the Klein f and g integrals. The heart of the problem is the evaluation of these improper integrals. Versions of this program held in the CPC repository in Mendeley Data AAEE_v1_0; RKRPOT; 10.1016/0010-4655(73)90093-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)