QUESTDB_website/static/data/abs/carbon_dimer_TBE_aug-cc-pVTZ_double.dat

# Molecule : Carbon dimer
# Comment  : 
# code     : 
# method   : TBE,aug-cc-pVTZ
# geom     : CC3,aug-cc-pVTZ
# set      : QUEST#2,0

# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
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# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
  1       1     \Sigma_g^+ 1       1     \Delta_g     (\mathrm{R};double)                     2.09          0.0            _            false
  1       1     \Sigma_g^+ 2       1     \Sigma_g^+   (\mathrm{R};double)                     2.42          0.0            _            false
Add data from table 1 2020-03-26 16:30:20 +01:00			`# Molecule : Carbon dimer`
			`# Comment :`
			`# code :`
Update QUEST#2 2021-10-30 16:59:30 +02:00			`# method : TBE,aug-cc-pVTZ`
Add geometrie data for QUEST#2 2020-08-28 14:14:41 +02:00			`# geom : CC3,aug-cc-pVTZ`
Change sets handling 2020-09-20 17:53:58 +02:00			`# set : QUEST#2,0`
Add data from table 1 2020-03-26 16:30:20 +01:00
Fix Oscillator strength typo 2020-10-08 18:36:03 +02:00			`# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe`
			`####################### ####################### ######################################## ############# ####### ##################### #############`
Add data from table 1 2020-03-26 16:30:20 +01:00			`# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe`
Update QUEST#2 2021-10-30 16:59:30 +02:00			`1 1 \Sigma_g^+ 1 1 \Delta_g (\mathrm{R};double) 2.09 0.0 _ false`
			`1 1 \Sigma_g^+ 2 1 \Sigma_g^+ (\mathrm{R};double) 2.42 0.0 _ false`