Some of our recent work on the development and application of ab initio methodologies
for the accurate determination of molecular properties will be discussed, with emphasis
in particular on coupled cluster damped response theory [1,2,3] and its application to the
computational simulation of x-ray absorption spectra [1,2,3,4].
References
[1] Sonia Coriani, Thomas Fransson, Ove Christiansen and Patrick Norman, Phys.
Rev. A 85, 022507 (2012)
[2] Sonia Coriani, Ove Christiansen, Thomas Fransson and Patrick Norman, J. Chem.
Theory Comp. 8, 1616-1628, (2012)
[3] Joanna Kauczor, Patrick Norman and Sonia Coriani, in preparation
[4] Thomas Fransson, Sonia Coriani, Ove Christiansen and Patrick Norman,
submitted to J. Chem. Phys. (2012)
