ABINITIO STUDY OF LOW-LYING ELECTRONIC STATES OF THE FNO2 MOLECULE

Ab initio electronic structure calculations are reported for low-lying electronic states, 1A1, 1A2, 3A2, B-1(1), B-3(1), B-1(2), and B-3(2) of the FNO2 molecule. Geometric parameters for the ground state 1A1, are predicted by MRSDCI Calculations with a double-zeta plus polarization basis set. The vertical excitation energies for these electronic states are determined using MRSDCI/DZ+P calculations at the ground-state equilibrium conformation. The oscillator strengths and radiative lifetimes for some electronic states are calculated based on the MRSDCI wave functions.