ELECTRONIC STRUCTURE OF THE FORMYL RADICAL, HCO, AS PREDICTED BY MANY-BODY PERTURBATION THEORY CALCULATIONS
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Publisher:Ohio State University
The ground state potential energy curve for the formyl radical decomposition to hydrogen plus carbon monoxide has been computed. Correlation energy corrections to the Hartree-Fock energy have been estimated by computing the MBPT corrections that arise from double-excitation type diagrams. Our computed UHF and UHF + MEPT4 surfaces will be compared with published SCF results, as well as with experimental estimates of the dissociation energy.
Author Institution: United States Army Ballistic Research Laboratory; Battelle Columbus Laboratories
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