Quantum Mechanics in Chemistry by Jack Simons and Jeff Nichols

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1、QuantumMechanicsinChemistrybyJackSimonsandJeffNicholsWordstothereaderabouthowtousethistextbookI.WhatThisBookDoesandDoesNotContainThisisatextdealingwiththebasicsofquantummechanicsandelectronicstructuretheory.Itprovidesanintroductiontomolecularspectroscopy(alth

2、oughmostclassesonthissubjectwillrequireadditionalmaterial)andtothesubjectofmoleculardynamics(whoseclassesagainwillrequireadditionalmaterial).II.HowtoUseThisBookOthersourcesofinformationmaybeneededtobuildbackgroundintheareasofmathematicsandphysics.Theseaddition

3、alsubjectsaretreatedbrieflyintheassociatedAppendiceswhosereadingsarerecommendedatselectedplaceswithinthetextinthefollowingformat:[SuggestedExtraReading-AppendixA:MathematicsReview].III.QMICComputerProgramsIncludedwiththistextareasetofQuantumMechanicsinChemistr

4、y(QMIC)computerprograms.Theyappearonthefloppydiskontheinsideofthebackcover.Tolearnmoreaboutwhattheycontainandhowtousethem,readthe(MicrosoftWord)"README"and"writeme"filesonthisdisk.TableofContentsSection1TheBasicToolsofQuantumMechanicsChapter1Quantummechanicsde

5、scribesmatterintermsofwavefunctionsandenergylevels.physicalmeasurementsaredescribedintermsofoperatorsactingonwavefunctionsI.Operators,Wavefunctions,andtheSchrödingerEquationA.OperatorsB.WavefunctionsC.TheSchrödingerEquation1.TheTime-DependentEquation2.TheTime-

6、IndependentEquationII.ExamplesofSolvingtheSchrödingerEquationA.Free-ParticleMotioninTwoDimensions1.TheSchrödingerEquation2.BoundaryConditions3.EnergiesandWavefunctionsforBoundStates4.QuantizedActionCanAlsobeUsedtoDeriveEnergyLevelsB.OtherModelProblems1.Particl

7、esinBoxes2.OneElectronMovingAboutaNucleus[SuggestedExtraReading-AppendixB:TheHydrogenAtomOrbitals]3.RotationalMotionforaRigidDiatomicMolecule4.HarmonicVibrationalMotionIII.ThePhysicalRelevanceofWavefunctions,OperatorsandEigenvaluesA.TheBasicRulesandRelationtoE

8、xperimentalMeasurementB.AnExampleIllustratingSeveraloftheFundamentalRules[SuggestedExtraReading-AppendixC:QuantumMechanicalOperatorsandCommutation]Chapter2Approximationmethodscanbe