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.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.