Abstract
Abstract Quasirelativistic Douglas–Kroll calculations including spin–orbit interaction have been performed for hydrogen-like (one-electron) ions. The Douglas–Kroll operators have been implemented up to the sixth order, and a huge even-tempered basis set has been applied that gives results to microhartree accuracy for the energy levels 1 s 1 2 through 4 f 7 2 for all ions with nuclear charge from Z = 1 up to Z = 100. Besides providing reference data for other implementations, these results can be used to analyse the performance of the Douglas–Kroll method. Such an analysis is presented for the 1s energy levels and the spin–orbit splitting of the 2p shell. The leading order of the error of the Douglas–Kroll result is different for 2s and 2 p 1 2 although these levels are degenerate both at nonrelativistic and Dirac level.
Sign-in/Register to access full text options 
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.
