Potentially expand the functionality for excited states (see #105) to excited states gradient and non-adiabatic couplings in order to both go beyond ground state descriptions and move towards quantum dynamics. @bsenjean and @Akilan-QC feel free to add information, references and in general useful context.
Potentially expand the functionality for excited states (see #105) to excited states gradient and non-adiabatic couplings in order to both go beyond ground state descriptions and move towards quantum dynamics. @bsenjean and @Akilan-QC feel free to add information, references and in general useful context.