Abstract
Electronic states of icosahedral (Ih) clusters Al 13 , Al 12 , Cu 13 , and Cu 12 were calculated by the DV-Xα method which took into account of many-electron effects. The valence 3 d orbitals of Ih-Cu 13 cluster are localized within atom and isolated from the valence 4 s and 4 p orbitals extended over the whole cluster. The characteristic feature of the states of s and p valence electrons of Ih-Al 3 and Cu 13 clusters well corresponds to that of one-electron picture i.e. the shell model of the 3-dimensional isotropic harmonic oscillator potential. Electronic states of valence levels of Ih-Al 12 and Ih-Cu 12 clusters which have no central atom fairly well correspond to those of a combined potential of the harmonic oscillator and a 3-dimensional Gaussian potential barrier at the center of the cluster.
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.
