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[null,"1.","Record Nr.",null,"UNINA9911020166203321"]
[null,null,"Titolo",null,"New methods in computational quantum mechanics / / edited by I. Prigogine and Stuart A. Rice"]
[null,null,"Pubbl/distr/stampa",null,"New York, : J. Wiley, c1996"]
[null,null,"ISBN",null,"9786612682049"]
[{"$nulls":4},"9781282682047"]
[{"$nulls":4},"1282682040"]
[{"$nulls":4},"9780470141526"]
[{"$nulls":4},"0470141522"]
[{"$nulls":4},"9780470142059"]
[{"$nulls":4},"0470142057"]
[null,null,"Descrizione fisica",null,"1 online resource (829 p.)"]
[null,null,"Collana",null,"Advances in chemical physics ; ; v. 93"]
[null,null,"Disciplina",null,"539"]
[{"$nulls":4},"541.305"]
[{"$nulls":4},"541/.08"]
[null,null,"Soggetti",null,"Chemistry - Mathematics"]
[{"$nulls":4},"Quantum chemistry"]
[null,null,"Lingua di pubblicazione",null,"Inglese"]
[null,null,"Formato",null,"Materiale a stampa"]
[null,null,null,"Livello bibliografico","Monografia"]
[null,null,null,"Note generali","Description based upon print version of record."]
[null,null,null,"Nota di bibliografia","Includes bibliographical references and indexes."]
[null,null,"Nota di contenuto",null,"Advances in CHEMICAL PHYSICS; CONTENTS; QUANTUM MONTE CARLO METHODS IN CHEMISTRY; MONTE CARL0 METHODS FOR REAL-TIME PATH INTEGRATION; THE REDFIELD EQUATION IN CONDENSED-PHASE QUANTUM DYNAMICS; PATH-INTEGRAL CENTROID METHODS IN QUANTUM STATISTICAL MECHANICS AND DYNAMICS; MULTICONFIGURATIONAL PERTURBATION THEORY : APPLICATIONS IN ELECTRONIC SPECTROSCOPY; ELECTRONIC STRUCTURE CALCULATIONS FOR MOLECULES CONTAINING TRANSITION METALS; THE INTERFACE BETWEEN ELECTRONIC STRUCTURE THEORY AND REACTION DYNAMICS BY REACTION PATH METHODS; ALGEBRAIC MODELS IN MOLECULAR SPECTROSCOPY"]
[{"$nulls":4},"TIGHT-BINDING MOLECULAR DYNAMICS STUDIES OF COVALENT SYSTEMSPERSPECTIVES ON: SEMIEMPIRICAL MOLECULAR ORBITAL THEORY; AUTHOR INDEX; SUBJECT INDEX"]
[null,null,null,"Sommario/riassunto","The use of quantum chemistry for the quantitative prediction of molecular properties has long been frustrated by the technical difficulty "]
[{"$nulls":4},"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"]