mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-26 06:14:38 +01:00
20 lines
987 B
Plaintext
20 lines
987 B
Plaintext
# Molecule : Dinitrogen
|
|
# Comment : Absorption energies of the dinitrogen molecule
|
|
# code : experimental
|
|
# method : experimental
|
|
# geom : experimental
|
|
# 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 9.31
|
|
1 1 A_1 1 1 \Sigma_u^- 9.92
|
|
1 1 A_1 1 1 \Delta_u 10.27
|
|
1 1 A_1 1 1 \Pi_u 12.78
|
|
1 1 A_1 1 1 \Sigma_u^+ 12.96
|
|
1 1 A_1 2 1 \Pi_u 13.1
|
|
1 1 A_1 1 3 \Sigma_u^+ 7.75
|
|
1 1 A_1 1 3 \Pi_g 8.04
|
|
1 1 A_1 1 3 \Delta_u 8.88
|
|
1 1 A_1 1 3 \Sigma_u^- 9.67 |