Molecular Electromagnetism: A Computational Chemistry Approach
Nonfiction, Science & Nature, Science, Physics, Electricity, Technology
| Author: | Stephan P. A. Sauer | ISBN: | 9780191621000 |
| Publisher: | OUP Oxford | Publication: | August 25, 2011 |
| Imprint: | OUP Oxford | Language: | English |
| Author: | Stephan P. A. Sauer |
| ISBN: | 9780191621000 |
| Publisher: | OUP Oxford |
| Publication: | August 25, 2011 |
| Imprint: | OUP Oxford |
| Language: | English |
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.
