Application of the DVR method to the vibration-rotation spectrum of N 2O: derivation of the dipole moment derivatives in Radau coordinates

Abstract

The rovibrational line intensities of the N 2O molecule in its ground electronic state have been used to determine its dipole moment derivatives using a fitting procedure. The wavefunctions calculation have been made using a Discrete Variable Representation method in Radau coordinates and an available potential energy surface. The resulting dipole moment derivatives are compared to previous ones obtained using normal coordinates approach.