Elsevier, Journal of Electron Spectroscopy and Related Phenomena, (75), p. 109-115
DOI: 10.1016/0368-2048(95)02380-1
Full text: Download
We report on the implementation and first application of the second order algebraic diagrammatic construction approximation of the three-particle Green's function. This method allows the ab initio calculation of a large number of triply ionized states. As a first example the triple ionization spectrum of the water molecule is investigated. The results obtained with this method are discussed and shown to be of comparable accuracy to those of configuration interaction calculations of much larger and faster scaling computational size.