Abstract
The valence ionization energies of Ni(CO) 4 and Cr(NO) 4 are calculated by a number of methods. The highest level of theory includes both electron relaxation and correlation in the ions, and electron correlation in the unionized molecule. The value of the various methods is assessed by comparison with the experimental photoelectron spectra. It is found that the extended two-particle-holeTamm-Dancoff method yields the best agreement with the experimental data.
Sign-in/Register to access full text options 
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 callDisclaimer: 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.
