Abstract
A relativistic Fock-space coupled cluster theory based on the Dirac—Coulomb—Breit wavefunctions has been developed and implemented, employing analytic basis sets of Gaussian-type functions. Relativistic all-order calculations including single and double excitations were performed for the ground states of the He and Be atoms and for the Ne ( Z = 10), Ar ( Z = 18) and Sn ( Z = 50) ions with 2–5 electrons. Comparison is made with the Dirac—Coulomb and non-relativistic formulation and with available experimental results. The non-additivity of relativistic and correlation effects is discussed.
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.
