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Frequency optimized potential energy functions for the ground-state surfaces of HCN and HCP

โœ Scribed by J.N. Murrell; S. Carter; L.O. Halonen


Book ID
107802117
Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
502 KB
Volume
93
Category
Article
ISSN
0022-2852

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The potential energy surface for the electronic ground state of CO 2 is refined by means of a two-step variational procedure using the exact rovibrational Hamiltonian in the bond length-bond angle coordinates. In the refinement, the observed rovibrational energy levels for J = 0-4 below 16,000 cm -1