Abstract
AbstractA non‐local core pseudopotential has been used in the framework of floating spherical Gaussian orbital (FSGO) model to study the equilibrium geometries and valence electronic structures of some organolithium and organoberyllium systems. The calculated equilibrium geometries, heats of hydrogenation, average electric polarizabilities, and magnetic susceptibilities are in good agreement with the results of the all‐electron FSGO model calculations. Valence electron wave functions obtained here have been used to predict the valence electron Compton profiles (CP) and electron momentum distributions (EMD) of the systems studied. A good correlation has been shown among the peak height of the CP (J(0)), valence electron energy (Ev), and number of valence electrons (Nv).
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.
