Abstract
The theory of the irreducible representations of space groups and the symmetry projection of crystal wave functions can be written in a more concise form, when the irreducible representations of arbitrary finite groups can be calculated. Two computer programs have been written. Starting with a minimum of input they produce crystal space orbitals and plane waves respectively, symmetry adapted to the irreducible representations of any one of the 230 space groups. The irreducible representations are generated by the program itself.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
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.