Abstract

Much attention is now given to electron--distribution models that are fairly simple from the computational viewpoint but capable of describing the main solid-state bond features. We construct electron distributions for crystals having the diamond structure by means of localized bond functions, whose performance is evaluated by comparing the Fourier transforms with the observed structure factors for x-ray Bragg reflections for diamond and silicon. That approach to distribution description is of interest because wave-function calibration of x-ray form factors gives excellent agreement with variational calculations for the atomic density and atomic orbitals.

Full Text
Paper version not known

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.