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1、EDITORIALpubs.acs.org/CRIntroductiontotheQuantumChemistry2012Issue101.BACKGROUNDSanibelmeetings,theschoolsinSwedenandFloridathatwere1organizedbyL€owdin,theCoulsonschoolsatOxford,andmanyQuantumchemistrystartedwhenHeitlerandLondontreatedothers.TheInternationalC
2、ongressesofQuantumChemistrythecovalentbondinginthehydrogenmolecule.Sixearlybooks2345(ICQC)havebeenorganizedeverythirdyearsince1973bythewerethosebyHaas,PaulingandWilson,Hellmann,Pauling,67InternationalAcademyofQuantumMolecularSciences(IAQMS),Eyringetal.,andPit
3、zer.InadditiontobooksdevotedentirelytothenextonebeingheldatBoulder,CO,in2012.Adynamicthesubject,thefieldofquantumchemistryworkeditswayintotheforumforquantumchemistry,albeitwithadifferentemphasis,classicphysicalchemistrytextbooksoftheera.hasbeenthatprovidedbythe
4、WATOCmeetings;thefirstofAnearlygoalthatemergedsoonafterWWIIwerewhatare8thesewasin1987,andthelatestwasatSantiagodeCompostela,nowknownasabinitiocalculations,wherechemicalconclusionsSpain,in2011.ThecurrentMQM(MolecularQuantumMe-areobtainedfromthegeneralprinciples
5、ofquantummechanics.chanics)meetingsformathirdtriannualseries,gearedtowardNaturally,alevelofapproximation,suchasHartreeFock,andaudiencescomprisingthosetraditionallyassociatedwithbothtechnicaldetails,suchasabasisset,hadtobechosenfirst,witheachchoiceyieldingwhat
6、latercametobeknownasa“modelICQCandWATOC.TheAmerican,Asia-Pacific,Canadian,chemistry”.Somewell-crystallizedapproacheshavebeendifferentCentralEuropeanCESTC,EuropeanECCC,GermanSTC,truncationsofconfigurationinteraction,variousordersofmany-SpanishESPA,etc.regionalmee
7、tingshavebeenmoreinterna-body(MøllerPlesset)perturbationtheory,thecoupled-clustertionalthantheirnamesmightsuggest.Beyondthese,thereareaapproachthatinvolvessummingcertainperturbationtheoryvastnumberofothermeetingsrangingfromlargesessionsdevot-termstoinfiniteor
8、der,andthecompleteactivespace(CAS)edtoquantumchemistryinthemassiveeventsknownasACSmethod.Theelectroncorrelationproblemforstronglymulti-meetings,theannualSanibelSymposiathathavebeenheldfor