A fast quadrature method for computing diatomic RKR potential curves
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资源简介:
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)
创建时间:
1973-01-01



