Title of article
Variational Calculations of Highly Excited Rovibrational States for the Ground Electronic State of N2O
Author/Authors
Daud, Mohammad Noh university of malaya - Faculty of Science - Department of Chemistry, Malaysia , Balint-Kurtt, Gabriel G. University of Bristol - School of Chemistry, UK
From page
123
To page
130
Abstract
Variational calculations are presented for highly excited vibrational bound states of N20 using a newly constructed ab initio multireference configuration interaction potential energy surface. The calculations are performed using a Jacobi coordinate system. The vibrational energies are compared with experimental data and the sources of the discrepancy between them are discussed.
Keywords
Variational , multireference configuration interaction , potential energy surface , Jacobi coordinate , rovibrational energy
Journal title
Malaysian Journal of Science
Journal title
Malaysian Journal of Science
Record number
2680322
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