<i>Ab Initio</i> Wave Function-Based Determination of Element Specific Shifts for the Efficient Calculation of X-ray Absorption Spectra of Main Group Elements and First Row Transition Metals
Agisilaos Chantzis, Joanna K. Kowalska, Dimitrios Maganas, Serena DeBeer, Frank Neese (2018). <i>Ab Initio</i> Wave Function-Based Determination of Element Specific Shifts for the Efficient Calculation of X-ray Absorption Spectra of Main Group Elements and First Row Transition Metals. Journal of Chemical Theory and Computation, 14(7), pp. 3686-3702, DOI: 10.1021/acs.jctc.8b00249.
