Etsyms
From cclib
The attributes etsyms is a list containing the symmetries (strings) of the excited states found in the calculation. As for etenergies and other attributes related to excited states, there should be as many elements in this list as there are excited states in the calcualtion.
Note that while the symmetry descriptions start with the string Singlet or Triplet, the exact format differs between programs.
[edit]
Availability
- Configuration Interaction (CIS): Gaussian
- Time-dependent DFT (TD-DFT): Gaussian
- Time-dependent Hartree-Fock (TD-HF): Gaussian
[edit]
Availability
- Configuration Interaction (CIS): GAMESS, Gaussian, Jaguar
- Time-dependent DFT (TD-DFT): Gaussian
- Time-dependent Hartree-Fock (TD-HF): Gaussian
[edit]
