Abstract
The multiconfiguration method based on the generalized Brillouin theorem is well suited to optimize orbitals in variational wavefunctions for low-lying excited states of a given symmetry. Such wavefunctions are constrained to be orthogonal to and noninteracting with the wavefunctions for all lower states of the same symmetry. Test calculations were performed on the lowest excited 1S state of Be. For a Hartree-Fock ground state wavefunction, singly excited configurations were insufficient to describe the lowest excited state, and triply excited configurations had to be added. For multiconfiguration ground state wavefunctions, however, singly excited configurations gave good results.
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