An overview of our recent work on the extension of Linear Coupled Cluster
Response Theory to compute Near-Edge Absorption Fine Structures [1,2,3],
photoionization cross-sections [5] as well as other linear response properties of
atoms and molecules in resonant frequency regions [3,4] will be presented.
[1] S. Coriani, O. Christiansen, T. Fransson, P. Norman, Phys. Rev. A 2012,
85, 022507
[2] S. Coriani, T. Fransson, O. Christiansen, P. Norman J. Chem. Theory
Comp. 2012, 8, 1616
[3] T. Fransson, S. Coriani, O. Christiansen, P. Norman, Submitted to J. Chem.
Phys.
[4] S. Coriani, J. Kauczor, P. Norman, O. Christiansen, to be submitted
[5] J. Cukras, S. Coriani, P. Decleva, O. Christiansen, P. Norman, , to be
submitted.
