Bültmann & Gerriets
Molecular Electromagnetism: A Computational Chemistry Approach
von Stephan P. A. Sauer
Verlag: Oxford University Press
Reihe: Oxford Graduate Texts
E-Book / EPUB
Kopierschutz: Adobe DRM


Speicherplatz: 34 MB
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ISBN: 978-0-19-162100-0
Erschienen am 25.08.2011
Sprache: Englisch

Preis: 73,49 €

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Biografische Anmerkung
Klappentext

Stephan Sauer studied for his degrees in Germany and Denmark, and has worked since taking his doctorate at the IBM Almaden Research Centre, San Jose, California, USA, at Odense University, Denmark, and at the University of Copenhagen. He has authored more than 100 publications in peer-reviewed international journals.



This is a textbook on the theory and calculation of molecular electromagnetic and spectroscopic properties designed for a one-semester course with lectures and exercise classes. The idea of the book is to provide thorough background knowledge for the calculation of electromagnetic and spectroscopic properties of molecules with modern quantum chemical software packages.
The book covers the derivation of the molecular Hamiltonian in the presence of electromagnetic fields, and of time-independent and time-dependent perturbation theory in the form of response theory. It defines many molecular properties and spectral parameters and gives an introduction to modern computational chemistry methods.


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