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1、AlgebraicTheoryofMoleculesTOPICSINPHYSICALCHEMISTRYASeriesofAdvancedTextbooksandMonographsSeriesEditor,DonaldG.TruhlarF.lachelloandR.D.Levine,AlgebraicTheoryofMoleculesP.Bernath,SpectraofAtomsandMoleculesJ.SimonsandJ.Nichols,QuantumMechanicsinChemistryJ.Cioslowski,ElectronicStructureCa
2、lculationsonFullerenesandTheirDerivativesAlgebraicTheoryofMoleculesF.IachelloR.D.LevineNewYorkOxfordOXFORDUNIVERSITYPRESS1995OxfordUniversityPressOxfordNewYorkTorontoDelhiBombayCalcuttaMadrasKarachiKualaLumpurSingaporeHongKongTokyoNairobiDaresSalaamCapeTownMelbourneAucklandMadridandass
3、ociatedcompaniesinBerlinIbadanCopyright©1995byOxfordUniversityPress,Inc.PublishedbyOxfordUniversityPress,Inc.,200MadisonAvenue,NewYork,NewYork10016OxfordisaregisteredtrademarkofOxfordUniversityPressAllrightsreserved.Nopartofthispublicationmaybereproduced,storedinaretrievalsystem,ortran
4、smitted,inanyformorbyanymeans,electronic,mechanical,photocopying,recording,orotherwise,withoutthepriorpermissionofOxfordUniversityPress.LibraryofCongressCataloging-in-PublicationDataIachello,F.Algebraictheoryofmolecules/F.IachelloandR.D.Levine.p.cm.—(Topicsinphysicalchemistryseries)Inc
5、ludesbibliographicalreferences.ISBN0-19-508091-21.Molecularspectroscopy—Mathematics.2.Moleculardynamics—Mathematics.I.Levine,RaphaelD.II.Title.III.Series.QD96.M651231995539'.6—dc2093-37702987654321PrintedintheUnitedStatesofAmericaonacid-freepaperPrefaceForoveradozenyearswehavebeendevel
6、opinganalgebraicapproachtomolecularenergeticsanddynamics.Oneofuscamefromnuclearphysics,theotherfrommolecularreactiondynamics,butwewerebothinterestedinalge-braicmethodswhenwemetin1981.Thisvolumerepresentsthatpartofourworkthatweregardasbeingreadytobepublishedasabook.Inthisbookwepresentan
7、algebraicapproachtomolecularvibrotationspec-troscopy.Wediscusstheunderlyingalgebraictechniquesandillustratetheirapplication.Wedeveloptheapproachfromitsverybeginningsoastoenablenewcomerstoenterthefield.Alsoprovidedareenoughdetailsandconcreteexamplestoserveasareferencefortheexpert.Wese
