| Titre : |
Advances in chemical physics. Vol. XCIII : new methods in computational quantum mechanics |
| Type de document : |
texte imprimé |
| Auteurs : |
Ilya Prigogine, Éditeur scientifique ; Stuart A. Rice, Éditeur scientifique |
| Editeur : |
London : John Wiley & Sons |
| Année de publication : |
1996 |
| Collection : |
Advances in chemical physics num. XCIII |
| Importance : |
X-813 P. |
| Présentation : |
Relie. Couv. en coul., graph. |
| Format : |
23 cm |
| ISBN/ISSN/EAN : |
978-0-471-14321-5 |
| Langues : |
Anglais (eng) |
| Catégories : |
(31.15) Theorie des groupes, symetries et informatique pour la chimie
|
| Mots-clés : |
monte carlo method perturbation theory quantum statistical mechanics electronic structure algebraic molecular spectra |
| Index. décimale : |
31.15 |
| Résumé : |
quantum monte carlo methods in chemistry monte carlo methods for real-time path integration the redfiels equation in condensed-phase quantum path-integral centroid methods in quantum statistical mechanic and dynamics multiconfigurational perturbation theory : applications in electronic spectroscopy electronic structure calculations for molecules consiting transition metals the interface between electronic structure theory and reaction dynamics by reaction path methods algebraic models in molecular spectroscopy tight binding molecualr dynamics studies of covalent systems perspectives on semiempirical molecular orbital theory author index subject index |
Advances in chemical physics. Vol. XCIII (1996)
