Journal article
The crystal dependent open-shell polarizability of f-elements : higher order contributions
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Subtitle: higher order contributions
Author list: Edvardsson, Sverker
Publication year: 2000
Start page: 345
End page: 348
Number of pages: 4
ISSN: 0925-8388
DOI: http://dx.doi.org/10.1016/S0925-8388(00)00758-1
View additional information: View in Web of Science™
Abstract
It has earlier been shown that the use of a self consistent multipole electrostatic model to derive the crystal field parameters (CFP) actually gives the correct curve shape when the CFP are plotted against the various rare-earth ions (S. Edvardsson, M. Klintenberg, The use of CI calculated polarizabilities to study rare-earth CFP dependencies in the laser host RE:YLF. Mater. Sci. Forum, 1999;315-317:407). It is also known that the electrostatic contribution is important for the lower order parameters. In this connection; our primary interest is to revisit this model and investigate theoretically some aspects of the dipole polarizability (alpha(D)). A few approximations were done in the earlier calculations: the treatment of unfilled shells, the neglect that also higher order terms of the type A(10)r(t)C(0)(t) contribute with t odd (not only the A(10)r(1)C(0)(1) term), correlation effects and second order contributions in perturbation theory. The solutions of the inhomogeneous Schrodinger equation are solved by a powerful numerical method. The problem is reformulated and results instead in a simple linear equation system (symmetric tridiagonal matrix) which is stable and fast to solve. The various theoretical results will be used in future applications.
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