Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H2O
A scheme for calculating the vibrational structure of electronic spectra using coupled-cluster response theory is proposed. To calculate the vibrational structure of electronic transitions, the optimized geometries of the two electronic states, the molecular Hessians, the dipole transition moment and (for vibrationally induced transitions) the geometrical gradient of the dipole transition moment a
