N. Burton, I. H. Hillier, M. Guest
Feb 24, 1989
Citations
0
Influential Citations
4
Citations
Journal
Chemical Physics Letters
Abstract
Abstract Using non-local pseudopotential operators to describe the core electrons, the geometry of palladium(II) acetylacetonate has been obtained at the RHF level. The valence ionization energies of this molecule have been calculated using the 2ph-TDA method and yield an assignment of the PE spectrum in agreement with experiment.