Molecular Application to the Equations of Motions Method.

Various approximations of the equations of motion method (EOM) were employed to study the excited states of C2H4, BF, and C3H4. In the EOM method the excitation energies are calculated directly, as opposed to the configuration interaction method. Gaussian basis sets were used to calculate the excitation energies of the excited states of ethylene and allene. The EOM values of the excitation energies for different excited states are discussed.