Abstract

Ab initio LCAO MO SCF calculations have been carried out on a series of carbon containing molecules and their associated core-ionized and equivalent-core species. The energies of core exchange as defined by the equivalent cores approximation are calculated and discussed. Results from different basis sets are compared.

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.