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Zusatztext Of high quality and written from a perspective of deep understanding and knowledge of the subject. Informationen zum Autor 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. Klappentext A textbook for a one-semester course for students in chemistry, physics and nanotechnology, on the interaction of molecules with electric and magnetic fields as, for example, in light. The book provides the necessary background knowledge for simulating these interactions on computers with modern quantum chemical software. Zusammenfassung A textbook for a one-semester course for students in chemistry, physics and nanotechnology, on the interaction of molecules with electric and magnetic fields as, for example, in light. The book provides the necessary background knowledge for simulating these interactions on computers with modern quantum chemical software. Inhaltsverzeichnis 1: Introduction I QUANTUM MECHANICAL FUNDAMENTALS 2: The Schrödinger Equation in the Presence of Fields 3: Perturbation Theory II DEFINITION OF PROPERTIES 4: Electric Properties 5: Magnetic Properties 6: Properties Related to Nuclear Motion 7: Frequency-Dependent and Spectral Properties 8: Vibrational Contributions to Molecular Properties III COMPUTATIONAL METHODS 9: Short Review of Electronic Structure Methods 10: Approximations to Exact Perturbation and Response Theory Expressions 11: Perturbation and Response Theory with Approximate Wavefunctions 12: Derivative Methods 13: Examples of Calculations and Practical Issues IV APPENDICES A: Operators B: Definitions of Properties C: Perturbation Theory Expressions for Properties ...
