Computational molecular spectroscopy

Lien	https://www.wiley.com/en-it/Computational+Molecular+Spectroscopy-p-9780471489986
Éditeur	Rechercher : Jensen, Per¹; Rechercher : Bunker, Philip R.¹
Affiliation	Conseil national de recherches Canada. Institut Steacie des sciences moléculaires du CNRC
Format	Texte, Livre
ISBN	0471489980 9780471489986
Description physique	686 pages
Résumé	Theoretical molecular spectroscopy has been the subject of intense activity in the last decade as a result of the increasing availability of powerful computers. Computational Molecular Spectroscopy is the first book ever to provide a comprehensive treatment of modern compuational techniques for predicting/interpreting molecular spectra. Comprised essentially of four main parts, the book is a must for research workers in high resolution molecular spectroscopy and in quantum chemistry. It is also highly useful to undergraduate and postgraduate students of physics and chemistry, who are just starting out in the field. The four main areas covered include: * Ab initio calculation of potential energy surfaces and other electronic properties of molecules; * Perturbation-theory-based and variational approaches to the calculation of spectroscopic data; * Theory of calculating rovibronic energies, including the Renner and Jahn-Teller effects; * Special topics of high current interest: highly excited states and local modes, semi-classical approaches, time-dependent phenomena, and the Carr-Parrinello approach.
Maison d’édition	John Wiley & Sons
Langue	anglais
Numéro NPARC	12338237
Exporter la notice	Exporter en format RIS
Signaler une correction	Signaler une correction (s'ouvre dans un nouvel onglet)
Identificateur de l’enregistrement	e9899ae7-8576-4bdb-99e3-4ec41d23edca
Enregistrement créé	2009-09-10
Enregistrement modifié	2026-10-07

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Conseil national de recherches Canada

Date de modification :: 2026-10-07