Generalized diatomics-in-molecules potential energy surfaces for H3 and H4
- 1 February 1981
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 74 (3) , 1821-1823
- https://doi.org/10.1063/1.441270
Abstract
The generalized diatomics‐in‐molecules method has been applied to calculate potential energies of H3 and H4. This modification of the diatomics‐in‐molecules equations significantly improves the calculated energies for nonlinear geometries of these systems.Keywords
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