| Titre : |
Molecular Electromagnetism : A Computational Chemistry Approach |
| Type de document : |
texte imprimé |
| Auteurs : |
Stephan P.A. Sauer, Auteur |
| Editeur : |
Oxford : Oxford University Press |
| Année de publication : |
2011 |
| Importance : |
XIV-306 P. |
| Présentation : |
Relie. Couv. en coul., graph. |
| Format : |
24 cm |
| ISBN/ISSN/EAN : |
978-0-19-957539-8 |
| Langues : |
Anglais (eng) |
| Catégories : |
(75.00) Theorie et proprietes magnetiques des solides
|
| Mots-clés : |
computational techniques Electromagnetism Perturbation theory Magnetic properties Frequency standards |
| Index. décimale : |
75.00 |
| Résumé : |
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 |
