Abstract
We suggest a simple procedure which makes it possible to include relativistic effects approximately in variational LCAO calculations. The scheme uses a free-particle projection, and is readily applicable to polyatomic systems. Pilot calculations on one-electron atoms are presented, and compared with exact Dirac solutions.
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.
