SCF methods for excited states

Algorithms are presented for SCF calculations on several types of excited states. The one-Hamiltonian method can be formulated so that it applies to either particle- or hole-type doublet states or to particle-hole triplet states. The one-Hamiltonian method works for particle-hole singlet states only if they are of different symmetry from the ground state. The sequential orthogonalization method is more restricted since it does not work for hole states. The sequential orthogonalization method, however, does apply to excited singlet states, provided the excitation is from the highest filled orbital.