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- Presents critical reviews of the present position and future trends in modern chemical research concerned with chemical structure and bonding
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Part of the book series: Structure and Bonding (STRUCTURE, volume 117)
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Table of contents (1 chapter)
Keywords
About this book
Using the spin-Hamiltonian formalism the magnetic parameters are introduced through the components of the Lambda-tensor involving only the matrix elements of the angular momentum operator. The energy levels for a variety of spins are generated and the modeling of the magnetization, the magnetic susceptibility and the heat capacity is done. Theoretical formulae necessary in performing the energy level calculations for a multi-term system are prepared with the help of the irreducible tensor operator approach. The goal of the programming lies in the fact that the entire relevant matrix elements (electron repulsion, crystal field, spin-orbit interaction, orbital-Zeeman, and spin-Zeeman operators) are evaluated in the basis set of free-atom terms. The modeling of the zero-field splitting is done at three levels of sophistication. The spin-Hamiltonian formalism offers simple formulae for the magnetic parameters by evaluating the matrix elements of the angular momentum operator in the basis set of the crystal-field terms. The magnetic functions for dn complexes are modeled for a wide range of the crystal-field strengths.
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Bibliographic Information
Book Title: Magnetic Functions Beyond the Spin-Hamiltonian
Editors: D. M. P. Mingos
Series Title: Structure and Bonding
DOI: https://doi.org/10.1007/b136753
Publisher: Springer Berlin, Heidelberg
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: Springer-Verlag Berlin Heidelberg 2006
Hardcover ISBN: 978-3-540-26079-0Published: 12 January 2006
Softcover ISBN: 978-3-642-06543-9Published: 22 November 2010
eBook ISBN: 978-3-540-32501-7Published: 02 December 2005
Series ISSN: 0081-5993
Series E-ISSN: 1616-8550
Edition Number: 1
Number of Pages: X, 278
Topics: Inorganic Chemistry, Theoretical and Computational Chemistry, Magnetism, Magnetic Materials