An account of recent work on damped response methodologies based on either coupled cluster wave function ansatzes or time-dependent density functional theory to compute x-ray Near-Edge Absorption Fine Structures [1,2,3], photoionization cross-sections [5] as well as other “exotic” response properties of atoms and molecules in resonant and non-resonant frequency regions [3,4,6,7] will be presented.
References
[1] S. Coriani, O. Christiansen, T. Fransson, P. Norman, Phys. Rev. A 85, 022507 (2012)
[2] S. Coriani, T. Fransson, O. Christiansen, P. Norman J. Chem. Theory Comp. 8, 1616 (2012)
[3] T. Fransson, S. Coriani, O. Christiansen, P. Norman, J. Chem. Phys., 138, 124311 (2013)
[4] J. Kauczor, P. Norman, O. Christiansen, S. Coriani, to be submitted.
[5] J. Cukras, S. Coriani, P. Decleva, O. Christiansen, P. Norman, submitted to J. Chem. Phys.
[6] J. Cukras, S. Coriani, J. Kauczor, P. Norman, A. Rizzo, to be submitted
[7] T. Fahleson, J. Kauczor, P. Norman and S. Coriani. Mol. Phys. (2013), DOI:10.1080/00268976.2013.779394
