manual   quickstart   instguide   update   basis

Next: B..2.14 NMR shielding tensors Up: B..2 New features of Previous: B..2.12 Additional gradient theories:   Contents   Index   PDF

B..2.13 Local methods for excited states

First-order properties of excited states via time-dependent Local CC2 linear response theory and ADC(2) are now also available for triplet states. This is described in K. Freundorfer, D. Kats, T. Korona, and M. Schütz, Local CC2 response method for triplet states based on Laplace transform: Excitation energies and first-order properties, J. Chem. Phys. 133, 244110 (2010); 2018-07-17