Analytical potential energy function for the electronic states 2^∏1/2 and 2^∏3/2 of O^x2 （x=＋1, -1）-中国期刊网

摘要 ThesplittingofpotentialenergylevelsforgroundstateX2ΠgofOx2(x=+1,1)underspin–orbitcoupling(SOC)hasbeencalculatedbyusingthespin–orbit(SO)multi-configurationquasi-degenerateperturbationtheory(SO-MCQDPT).TheirMurrell–Sorbie(M–S)potentialfunctionsaregained,andthenthespectroscopicconstantsforelectronicstates2Π1/2and2Π3/2arederivedfromtheM–Sfunction.TheverticalexcitationenergiesforOx2(x=+1,1)areν[O+12(2Π3/2→X2Π1/2)]=195.652cm1,andν[O12(2Π1/2→X2Π3/2)]=182.568cm1,respectively.Allthespectroscopicdataforelectronicstates2Π1/2and2Π3/2aregivenforthefirsttime.

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Analytical potential energy function for the electronic states 2^∏1/2 and 2^∏3/2 of O^x2 （x=＋1, -1）

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Analytical potential energy function for the electronic states 2^∏1/2 and 2^∏3/2 of O^x2 （x=＋1, -1）

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