mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-08-25 13:41:50 +02:00
Fix %T_1 missing on TBE for octatetraene
This commit is contained in:
parent
b535c5dca6
commit
d10b6d3b05
@ -8,6 +8,6 @@
|
|||||||
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe
|
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe
|
||||||
####################### ####################### ######################################## ############# ####### ##################### #############
|
####################### ####################### ######################################## ############# ####### ##################### #############
|
||||||
# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
|
# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
|
||||||
1 1 A_g 1 1 B_u (\mathrm{V};\pi \rightarrow \pi^\star) 4.78 _ _ false
|
1 1 A_g 1 1 B_u (\mathrm{V};\pi \rightarrow \pi^\star) 4.78 91.5 _ false
|
||||||
1 1 A_g 1 1 A_g (\mathrm{V};\pi \rightarrow \pi^\star) 4.90 _ _ true
|
1 1 A_g 1 1 A_g (\mathrm{V};\pi \rightarrow \pi^\star) 4.90 63.7 _ true
|
||||||
1 1 A_g 1 3 A_g (\mathrm{V};\pi \rightarrow \pi^\star) 3.73 _ _ true
|
1 1 A_g 1 3 A_g (\mathrm{V};\pi \rightarrow \pi^\star) 3.73 98.0 _ true
|
||||||
|
Loading…
Reference in New Issue
Block a user