QUESTDB_website/static/data/abs/silylidene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat

# Molecule : Silylidene
# Comment  : 
# code     : 
# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
# geom     : CC3,aug-cc-pVTZ
# set      : QUEST#4,1

# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
#######################  #######################  ########################################  ############# ####### ##################### #############
# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
  1       1     A_1        1       1     A_2          (\mathrm{R})                            2.24          _              _            false
  1       1     A_1        1       1     B_2          (\mathrm{R})                            3.87          _              _            false
Add new data from XLS file 2020-10-05 17:30:21 +02:00			`# Molecule : Silylidene`
			`# Comment :`
			`# code :`
Some fixes and update on data 2021-10-27 17:04:56 +02:00			`# method : SOS-ADC(2) [QC],aug-cc-pVTZ`
Add missing geometry metadata 2020-10-27 17:26:26 +01:00			`# geom : CC3,aug-cc-pVTZ`
Add new data from XLS file 2020-10-05 17:30:21 +02:00			`# set : QUEST#4,1`

Fix Oscillator strength for QUEST#5 paper addon 2020-10-12 17:22:27 +02:00			`# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe`
			`####################### ####################### ######################################## ############# ####### ##################### #############`
Add new data from XLS file 2020-10-05 17:30:21 +02:00			`# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe`
Fix data for new methods 2020-11-09 10:53:26 +01:00			`1 1 A_1 1 1 A_2 (\mathrm{R}) 2.24 _ _ false`
			`1 1 A_1 1 1 B_2 (\mathrm{R}) 3.87 _ _ false`