mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-07-04 02:16:11 +02:00
12 lines
716 B
Plaintext
12 lines
716 B
Plaintext
# Molecule : Hydrogen sulfide
|
|
# Comment :
|
|
# code :
|
|
# method : expermental
|
|
# geom :
|
|
# DOI : 10.1021/acs.jctc.8b00406
|
|
|
|
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
|
|
####################### ####################### ######################################## ############# ####### ################### ##############
|
|
# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
|
|
1 1 A_1 1 1 B_1 (n \rightarrow 4s) 6.33 _ _ false
|