De Graaf C., Broer R. Magnetic Interactions in Molecules and Solids

Springer – Cham, Heidelberg, New York, Dordrecht, London. 2016. — 246 p. — (Theoretical Chemistry and Computational Modeling). — ISBN: 978-3-319-22950-8, doi: 10.1007/978-3-319-22951-5.This textbook aims to explain the theoretical basis of magnetic interactions at a level that will be useful for master’s students in chemistry. Although it has been written as a volume in the series “Theoretical and Computational Chemistry”, the book is intended to be also helpful for students of physical, inorganic and organic chemistry. Most chemistry textbooks give only a brief general introduction, whereas textbooks treating magnetic interactions at a more advanced level are mostly written from the perspective of solid-state physics, aiming at physics students. This volume gives a treatment of magnetic interactions in terms of the phenomenological spin Hamiltonians that have been such powerful tools in chemistry and physics in the past half century. On the other hand, it also explains the magnetic properties using many-electron quantum mechanical models, first at a simple level and then working towards more and more advanced and accurate treatments. Connecting the two perspectives is an essential aspect of the book. It makes clear that in many cases one can derive magnetic coupling parameters not only from experiment, but also, independently, from accurate ab initio calculations.
Combining the two approaches leads, in addition, to a deeper understanding of the relation between physical phenomena and basic properties and how we can influence these. Think for example of magnetic anisotropy and spin-orbit coupling.Basic Concepts.
One Magnetic Center.
Two (or More) Magnetic Centers.
From Orbital Models to Accurate Predictions.
Towards a Quantitative Understanding.
Magnetism and Conduction