Abstract

The valence electronic charge density is calculated for aluminum from wave-functions obtained via Ashcroft's pseudopotential. A contour plot of the charge density is presented in the (100) plane. The Fourier transform of the charge density is used to calculate the atomic form factors which are compared with experimental X-ray form factors. The accuracy of the wavefunctions are further tested by comparing calculations of the imaginary part of the frequency dependent dielectric function with and without the effect of core states.

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.