We present a method for finding individual excited states' energy stationary
points in complete active space self-consistent field theory that is compatible
with standard optimization methods and highly effective at overcoming
difficulties due to root flipping and near-degeneracies. Inspired by both the
maximum overlap method and recent progress in excited state variational
principles, our approach combines these ideas in order to track individual
excited states throughout the orbital optimization process. In a series of
tests involving root flipping, near-degeneracies, charge transfers, and double
excitations, we show that this approach is more effective for state-specific
optimization than either the naive selection of roots based on energy ordering
or a more direct generalization of the maximum overlap method. Furthermore, we
provide evidence that this state-specific approach improves the performance of
complete active space perturbation theory. With a simple implementation, a low
cost, and compatibility with large active space methods, the approach is
designed to be useful in a wide range of excited state investigations.Comment: 13 pages, submitted to JCT