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Rename exp and delete unnescesary files

This commit is contained in:
Mickaël Véril 2019-12-17 12:25:12 +01:00
parent fb9ff127cf
commit 51651c4887
3 changed files with 0 additions and 32 deletions

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# Molecule : Water
# Comment :
# code :
# method : Th.$^b$,Litt.
# geom :
# DOI :
# 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 3s) 7.81 _ _ false
1 1 A_1 1 1 A_2 (n \rightarrow 3p) 9.3 _ _ false
1 1 A_1 1 1 A_1 (n \rightarrow 3s) 9.91 _ _ false
1 1 A_1 1 3 B_1 (n \rightarrow 3s) 7.42 _ _ false
1 1 A_1 1 3 A_2 (n \rightarrow 3p) 9.42 _ _ false
1 1 A_1 1 3 A_1 (n \rightarrow 3s) 9.78 _ _ false

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# Molecule : Water
# Comment :
# code :
# method : Th.$^c$,Litt.
# geom :
# DOI :
# 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 3s) 7.57 _ _ false
1 1 A_1 1 1 A_2 (n \rightarrow 3p) 9.33 _ _ false
1 1 A_1 1 1 A_1 (n \rightarrow 3s) 9.91 _ _ false
1 1 A_1 1 3 B_1 (n \rightarrow 3s) 7.21 _ _ false
1 1 A_1 1 3 A_2 (n \rightarrow 3p) 9.19 _ _ false
1 1 A_1 1 3 A_1 (n \rightarrow 3s) 9.5 _ _ false