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1、PhysicalChemistry9/16/20211复旦大学化学系Children’sSongItrytodomybesteachday,Inmyworkandinmyplay;AndifIalwaysdomybest,Ineednotcareaboutthetest.9/16/20212复旦大学化学系TheforceofattractionbetweentwoatomsorionsthatholdthemtogetherinaunitiscalledChemicalBondWhatisthenatureofChemicalBond?----TheHi

2、storyIdeasChapterThreeMolecularStructureandBonding9/16/20213复旦大学化学系W.Kossel:oneormoreelectronsfromoneatomareremovedandattachedtoanotheratom,resultinginpositiveandnegativeionswhichattracteachother----ionicbindingG.W.Lewis:oneormorepairsofelectronsaresharedbytwoatoms----covalentbin

3、ding3-1CovalencebondTheoryG.W.Lewis9/16/20214复旦大学化学系3-1CovalencebondTheory9/16/20215复旦大学化学系ContourmapsofthemolecularchargedistributionsofN2andLiFattheirequilibriuminternuclearseparationsCovalentandIonicBinding3-1CovalencebondTheory9/16/20216复旦大学化学系TheHamiltonianofH2isTheunderlyin

4、gphysicallawsnecessaryforthemathematicaltheoryof…thewholeofchemistryarethuscompletelyknown,andthedifficultyisonlythattheexactapplicationoftheselawsleadstoequationsmuchtoocomplicatedtobesoluble.----------Dirac3-1CovalencebondTheory9/16/20217复旦大学化学系ab12B.O.ApproximationOppenheimei3

5、-1CovalencebondTheory9/16/20218复旦大学化学系SeparateVariablesW.HeitlerandF.London’scontribution3-1CovalencebondTheory9/16/20219复旦大学化学系LinearVariationalMethodTrialEigenfunction3-1CovalencebondTheory9/16/202110复旦大学化学系3-1CovalencebondTheory9/16/202111复旦大学化学系SeculardeterminantLinearhomogen

6、eousequations3-1CovalencebondTheory9/16/202112复旦大学化学系Problem:Carryoutalinearvariationcalculationforaparticleofmassminone-dimensionalinfinitepotentialwellofwidthl.Useandastrialeigenfunction.Comparetheresultwiththeexactground-stateenergy.3-1CovalencebondTheory9/16/202113复旦大学化学系over

7、lap3-1CovalencebondTheory9/16/202114复旦大学化学系Heitler-LondonShoujingWang王守竟3-1CovalencebondTheory9/16/202115复旦大学化学系3-1CovalencebondTheory9/16/202116复旦大学化学系W.Kolos-C.C.Roothaan3-1CovalencebondTheory9/16/202117复旦大学化学系ElectronicStructure3-1CovalencebondTheoryBondingAnti-bonding9/16/202

8、118复旦大学化学系TheNatureoftheCovalentBond3-1C