Abstract
An analytic function for the ground-electronic-state HCO → H + CO potential energy surface is presented. Both experimental and ab initio data are used to derive parameters for the potential energy surface. Bound-state eigenvalues are obtained, and the results show good agreement with reported experimental and theoretical values. The analytic function is quite flexible and can be easily adjusted to determine how specific potential energy surface properties affect state-specific unimolecular decomposition.
Original language | English |
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Pages (from-to) | 7371-7377 |
Number of pages | 7 |
Journal | Journal of physical chemistry |
Volume | 94 |
Issue number | 19 |
DOIs | |
State | Published - 1990 |