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Calculation of two-dimensional potential energy surfaces of CO on a rutile(110) surface: ground and excited states

✍ Scribed by Mehring, Matthias; Klüner, Thorsten

Book ID
126560016
Publisher
Taylor and Francis Group
Year
2013
Tongue
English
Weight
631 KB
Volume
111
Category
Article
ISSN
0026-8976

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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