Abstract
A program written in C is applied for calculations of energy levels and wavefunctions of the lanthanides or actinides. Standard non-relativistic phenomenological operators are used. Simple determinantal product states are used to form the basis set. The complete energy matrix is diagonalized with all operators interacting simultaneously thus allowing mixing of all quantum numbers. The crystal field splitting can also be studied via the standard crystal field hamiltonian as well as the magnetic field influence on the energy levels. The program is here applied to the technologically interesting trivalent ion holmium which is used to form extremely strong magnets as well as the medical eye-safe laser Ho:YAG. Both experimentally fitted and calculated self-consistent crystal field parameters are used to study the energy structure. Crystal ionic polarizabilities with electron correlation included are partly calculated. Zeeman split levels are also studied.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
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.