Multireference response#
In this section, we will describe how to use response theory to obtain excited state properties at the CI and MCSCF level.
CI response
A direct application of exact state response to full and truncated CI.State-averaged MCSCF
A straightforward generalization of CI response to obtain excited state properties at the MCSCF level.Multiconfigurational linear response
The full linear response for MCSCF wavefunctions.Exercises
Applications of MCSCF to photochemistry and spectroscopy.