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New methods in computational quantum mechanics [[electronic resource] /] / edited by I. Prigogine and Stuart A. Rice



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Titolo: New methods in computational quantum mechanics [[electronic resource] /] / edited by I. Prigogine and Stuart A. Rice Visualizza cluster
Pubblicazione: New York, : J. Wiley, c1996
Descrizione fisica: 1 online resource (829 p.)
Disciplina: 539
541.305
541/.08
Soggetto topico: Chemistry - Mathematics
Quantum chemistry
Soggetto genere / forma: Electronic books.
Altri autori: PrigogineI (Ilya)  
RiceStuart Alan <1932->  
Note generali: Description based upon print version of record.
Nota di bibliografia: Includes bibliographical references and indexes.
Nota di contenuto: Advances in CHEMICAL PHYSICS; CONTENTS; QUANTUM MONTE CARLO METHODS IN CHEMISTRY; MONTE CARL0 METHODS FOR REAL-TIME PATH INTEGRATION; THE REDFIELD EQUATION IN CONDENSED-PHASE QUANTUM DYNAMICS; PATH-INTEGRAL CENTROID METHODS IN QUANTUM STATISTICAL MECHANICS AND DYNAMICS; MULTICONFIGURATIONAL PERTURBATION THEORY : APPLICATIONS IN ELECTRONIC SPECTROSCOPY; ELECTRONIC STRUCTURE CALCULATIONS FOR MOLECULES CONTAINING TRANSITION METALS; THE INTERFACE BETWEEN ELECTRONIC STRUCTURE THEORY AND REACTION DYNAMICS BY REACTION PATH METHODS; ALGEBRAIC MODELS IN MOLECULAR SPECTROSCOPY
TIGHT-BINDING MOLECULAR DYNAMICS STUDIES OF COVALENT SYSTEMSPERSPECTIVES ON: SEMIEMPIRICAL MOLECULAR ORBITAL THEORY; AUTHOR INDEX; SUBJECT INDEX
Sommario/riassunto: The use of quantum chemistry for the quantitative prediction of molecular properties has long been frustrated by the technical difficulty of carrying out the needed computations. In the last decade there have been substantial advances in the formalism and computer hardware needed to carry out accurate calculations of molecular properties efficiently. These advances have been sufficient to make quantum chemical calculations a reliable tool for the quantitative interpretation of chemical phenomena and a guide to laboratory experiments. However, the success of these recent developments in computa
Titolo autorizzato: New methods in computational quantum mechanics  Visualizza cluster
ISBN: 1-282-68204-0
9786612682049
0-470-14152-2
0-470-14205-7
Formato: Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione: Inglese
Record Nr.: 9910144268703321
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Serie: Advances in chemical physics ; ; v. 93.
Advances in chemical physics . Volume 111 / / edited by I. Prigogine, Center for Studies in Statistical Mechanics and Complex Systems, the University of Texas, Austin Texas and International Solvay, Institutes, Université, Libre de Bruxelles, Brussels, Belgium and Stuart A. Rice, Department of Chemistry and the James Franck Institute, the University of Chicago, Chicago, Illinois
Advances in chemical physics . Volume XCVI [[electronic resource] /] / edited by I. Prigogine and Stuart A. Rice
Advances in chemical physics . Volume 100 [[electronic resource] /] / edited by I. Prigogine and Stuart A. Rice
Monte Carlo methods in chemical physics [[electronic resource] /] / edited by David M. Ferguson, J. Ilja Siepmann, Donald G. Truhlar
Advances in chemical physics . Volume 110 / / edited by I. Prigogine, Center for Studies in Statistical Mechanics and Complex Systems, the University of Texas, Austin Texas and International Solvay, Institutes, Université, Libre de Bruxelles, Brussels, Belgium and Stuart A. Rice, Department of Chemistry and the James Franck Institute, the University of Chicago, Chicago, Illinois