Excitation energies in hartree for the doubly excited states.
Energies in hartree of the doubly excited state, , of H2 and corresponding excitation energies from the ground state.
Geometry of 1,3-butadiene and trans-1,3,5-hexatriene.
Excitation energies in hartree from the ground state for the doubly excited state, 21A g , of the 1,3-butadiene and trans-1,3,5-hexatriene.
Number of self-consistent field iterations needed for energy convergence.
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