caa a22 4500 465754635 CHVBK 20180323111843.0 cr unu---uuuuu 170327e19901201xx s 000 0 eng 10.1007/BF01170008 doi (NATIONALLICENCE)springer-10.1007/BF01170008 Ellzey Jr. M. Department of Chemistry, The University of Texas, 79968-0512, El Paso, Texas, USA aut Eigenvalue correlation diagrams for effective hamiltonians: The ESR spectrum of axial Gd(III) [Elektronische Daten] [M. Ellzey Jr.] Correlation diagrams depicting the behavior of effective Hamiltonian eigenvalues over the ranges of its variables may reveal important properties of the models. The case in which a Hamiltonian is a sum of two terms, one going to zero in one limit and the other effectively zero in the other limit, is considered here. The electron spin resonance spectrum calculated from the spin Hamiltonian of axial gadolinium In is used here as an example. The zerofield splitting term of the spin Hamiltonian is expanded in terms of normalized irreducible tensorial matrices in order to take advantage of their transformation properties under rotations. Its eigenvalues are plotted in a correlation diagram from the zero-field to the high-field limit. A similar correlation diagram for the principal transitions is used to predict a resonance spectrum. J.C. Baltzer AG, Scientific Publishing Company, 1990 Journal of Mathematical Chemistry Kluwer Academic Publishers 4/1(1990-12-01), 117-126 0259-9791 4:1<117 1990 4 10910 https://doi.org/10.1007/BF01170008 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01170008 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Ellzey Jr M. Department of Chemistry, The University of Texas, 79968-0512, El Paso, Texas, USA aut NATIONALLICENCE 773 0- Journal of Mathematical Chemistry Kluwer Academic Publishers 4/1(1990-12-01), 117-126 0259-9791 4:1<117 1990 4 10910 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer