Study of potential curves by UHF-type methods
- 20 October 1980
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 41 (3) , 483-490
- https://doi.org/10.1080/00268978000102931
Abstract
Potential curves for diatomic hydrides of second row atoms have been calculated using the ab initio UMP2 method. A small gaussian basis set is proposed in which the curves are found to be in good agreement with experiment. Reasons for systematic deviations in the range of intermediate internuclear distances are discussed.Keywords
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