Calculation of Vibrational Energy Levels: VPT2 VS. a Variational Approach

Details Calculation of Vibrational Energy Levels: VPT2 VS. a Variational Approach Calculation of Vibrational Energy Levels: VPT2 VS. a Variational Approach

Jun 2010

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..confeti06h&link_type=abstract

"International Symposium On Molecular Spectroscopy, 65th Meeting, Held 21-25 June, 2010 at Ohio State University. http://molspec

Physics

Theory

Scientific paper

For several potentials a detailed comparison of vibrational energy levels obtained via variational calculations employing the complete vibrational Hamiltonian and second-order vibrational perturbation theory (VPT2) is carried out.
J. K. G. Watson, Mol. Phys., 15, 479 (1968):19, 465 (1970).

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