Simulation of the Rotational Sublevels of the Ground and the First Excited Vibrational States of H2S Using Resummation Methods

Abstract

The rotational sublevels of the key (000) and (010) vibrational states of the H2S molecule were modeled with an accuracy close to experimental uncertainty using the generating function and Euler approaches. The predictive ability of the Hamiltonian parameters derived is tested against variational calculations. Comparison of transitions wavenumbers obtained from the presently calculated set of the H2S (000) and (010) energy levels with simulated (000)-(000), (010)-(010) transitions included in HITRAN 2016 database revealed a large discrepancy up to 44 cm-1. Large sets of accurate rotational sublevels of the (000) and (010) states are calculated.