# Molecule : Dinitrogen # Comment : Absorption energies of the dinitrogen molecule # code : Dalton # method : CC3,aug-cc-pVQZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 # Initial state Final state Energies (eV) ####################### ####################### ############### # Number Spin Symm Number Spin Symm E_abs 1 1 A_1 1 1 \Pi_g 9.33 1 1 A_1 1 1 \Sigma_u^- 9.87 1 1 A_1 1 1 \Delta_u 10.27 1 1 A_1 1 1 \Sigma_g^+ 12.9 1 1 A_1 1 1 \Pi_u 13.17 1 1 A_1 1 1 \Sigma_u^+ 13.09 1 1 A_1 2 1 \Pi_u 13.42 1 1 A_1 1 3 \Sigma_u^+ 7.71 1 1 A_1 1 3 \Pi_g 8.04 1 1 A_1 1 3 \Delta_u 8.87 1 1 A_1 1 3 \Sigma_u^- 9.68