Etenergies

The attribute etenergies is a rank 1 array that contains the energies of electronic transitions from a reference state to the excited states of the molecule, in cm-1. There should be as many elements to this array as there are excited states calculated. Any type of excited state calculation should provide output that can be parsed into this attribute.

Availability

 * Configuration Interaction (CIS): Gaussian
 * Time-dependent DFT (TD-DFT): Gaussian
 * Time-dependent Hartree-Fock (TD-HF): Gaussian

Availability (development version)

 * Configuration Interaction (CIS): Gaussian, GAMESS, Jaguar
 * Time-dependent DFT (TD-DFT): Gaussian
 * Time-dependent Hartree-Fock (TD-HF): Gaussian

Related attributes

 * etoscs
 * etsecs
 * etsyms