Abstract
Systematic calculations of multiplet energy levels of all trivalent lanthanides in LiYF 4 (YLF) crystal were performed using two completely different approaches: diagonalization of the commonly used semi-empirical Hamiltonian and a fully relativistic discrete-variational multi-electron (DV-ME) method which is based on a first-principles configuration-interaction (CI) calculation program using molecular spinors obtained by the discrete-variational Dirac–Slater (DV-DS) calculations. The energy level diagrams within 4 f n electron configurations were obtained by the former method, while those including both 4 f n and 4 f n− 15 d 1 configurations were obtained by the latter. Using the explicit many-electron wave functions, the absorption spectra of Pr 3+, Ho 3+, and Tm 3+ in YLF were calculated and compared with the experimental data.
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.
