Variational Calculations of Highly Excited Rovibrational States for the Ground Electronic State of N20

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.