Molecular Electromagnetism: A Computational Chemistry Approach
Seiten
2011
Oxford University Press (Verlag)
978-0-19-957539-8 (ISBN)
Oxford University Press (Verlag)
978-0-19-957539-8 (ISBN)
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.
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.
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.
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.
I QUANTUM MECHANICAL FUNDAMENTALS; II DEFINITION OF PROPERTIES; III COMPUTATIONAL METHODS; IV APPENDICES
| Reihe/Serie | Oxford Graduate Texts |
|---|---|
| Verlagsort | Oxford |
| Sprache | englisch |
| Maße | 200 x 248 mm |
| Gewicht | 802 g |
| Themenwelt | Naturwissenschaften ► Chemie ► Physikalische Chemie |
| Naturwissenschaften ► Physik / Astronomie ► Angewandte Physik | |
| Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik | |
| Naturwissenschaften ► Physik / Astronomie ► Elektrodynamik | |
| Naturwissenschaften ► Physik / Astronomie ► Quantenphysik | |
| Technik ► Maschinenbau | |
| ISBN-10 | 0-19-957539-8 / 0199575398 |
| ISBN-13 | 978-0-19-957539-8 / 9780199575398 |
| Zustand | Neuware |
| Haben Sie eine Frage zum Produkt? |
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