Comment on the Truhlar–Horowitz functional representation of the H+H2 potential surface
- 1 January 1981
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 74 (1), 754-755
- https://doi.org/10.1063/1.440793
Abstract
The Truhlar‐Horowitz H3 potentials subroutine is commented upon. It is contended that the TH functional representation has discontinuous derivatives for certain isosceles triangle configurations. (AIP).Keywords
This publication has 4 references indexed in Scilit:
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- An accurate three-dimensional potential energy surface for H3The Journal of Chemical Physics, 1978
- Ab initio potential energy surface for linear H3The Journal of Chemical Physics, 1973
- Potential-Energy Curves for the X 1Σg+, b3Σu+, and C 1Πu States of the Hydrogen MoleculeThe Journal of Chemical Physics, 1965