Abstract

Using total self-consistent-field (SCF) energy differences of small atomic clusters, simulating the metal environment, the \ensuremath{\Delta}SCF 1s binding energy is calculated. This \ensuremath{\Delta}SCF value, enhanced by atomic correlation and relativistic corrections, provides good values for the K-shell binding energy of Mg and Ca.

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.