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.
Rezensionen / Stimmen
Of high quality and written from a perspective of deep understanding and knowledge of the subject. * Gabriel Balint-Kurti, University of Bristol *
Reihe
Sprache
Verlagsort
Zielgruppe
Für höhere Schule und Studium
Advanced undergraduate and graduate students in chemistry, physics and nanotechnology. Chemistry and physics academics. Professional computational chemists.
Maße
Höhe: 248 mm
Breite: 200 mm
Dicke: 36 mm
Gewicht
ISBN-13
978-0-19-957539-8 (9780199575398)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Klassifikation
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.
Autor*in
Department of Chemistry, University of Copenhagen, Denmark
I QUANTUM MECHANICAL FUNDAMENTALS; II DEFINITION OF PROPERTIES; III COMPUTATIONAL METHODS; IV APPENDICES
