A fit of the potential energy surface of the LiHF system
- 10 August 1984
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 52 (5) , 1115-1124
- https://doi.org/10.1080/00268978400101821
Abstract
A new way of fitting ab initio values of the electronic energy of reactive systems is discussed. Following this scheme, the potential energy surface of the Li + HF reaction is built up by matching the functional forms fitted to the different regions of the interaction.Keywords
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