Abstract
An ab initio study has been carried out for the isoelectronic systems SiC 2 + and AlC 2. In both cases a linear state is found to lie the lowest in energy at the Hartree-Fock level. However, correlation effects tend to favour cyclic structures. Although for SiC 2 + Møller-Plesset and configuration interaction calculations provide different energy orders, the cyclic state is likely to be the ground state. In the case of AlC 2 all correlated calculations show a cyclic structure to be the ground state. The electronic structure of the low-lying states of both systems is discussed, with special attention to the differences between Al and Si compounds.
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.
