Construction of potential curves for diatomic molecular states by the IPA method

Authors
Pashov, A Jastrzebski, W Kowalczyk, P
Citation
A. Pashov et al., Construction of potential curves for diatomic molecular states by the IPA method, COMP PHYS C, 128(3), 2000, pp. 622-634
Citations number
13
Categorie Soggetti
Physics
Journal title
COMPUTER PHYSICS COMMUNICATIONS
ISSN journal
00104655 → ACNP
Volume
128
Issue
3
Year of publication
2000
Pages
622 - 634
Database
ISI
SICI code
0010-4655(200006)128:3<622:COPCFD>2.0.ZU;2-1
Abstract
A program package is presented which utilizes the Inverted Perturbation App roach (IPA) method for construction of potential energy curves of (1)Sigma and (1)Pi states of diatomic molecules directly from the experimental data. In most cases using the constructed IPA potential one can reproduce the ex perimental energy levels within die accuracy of measurement. The package is successfully tested in case of double minimum potential where the traditio nal RKR method is not applicable. (C) 2000 Elsevier Science B.V. All rights reserved.