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1、激光冷却OH分子的理论研究张云光张华窦戈徐建刚西安邮电大学理学院摘要：采用高精度的多参考组态相互作用方法计算0H分子基态和第一激发态的势能曲线•为获得更精确的计算结果，在计算过程中考虑Davidson修正、标量相对论效应、核价相关效应和自旋轨道耦合效应•基于计算的A-S和Q态的势能曲线，对一维径向薛定滂方程进行数值求解，得到齐个电子态的光谱数据，与已报道的实验值和理论值相符合•获得0H分子的永久偶极矩、跃迁偶极矩、振动能级、Franck-Condon因子及辐射寿命，结果表明，A2S+->X2n跃迁
2、具有高度对角化的Franck-Condon因子(0.9053)和短的辐射寿命(5.8363X10-7s),符合激光冷却分子的条件•制定了激光冷却011分子的具体方案，计算得到激光冷却跃迁A2S-X2n所需的三束激光波长，主光束波长为307.1532nm,两束重抽运激光波长为344.9163和349.7659nm.计算结果为超冷0H分子的实验制备提供重要的理论依据.关键词：光谱参数;Franck-Condon因子;辐射寿命;激光冷却;作者简介：张云光，E-ina订:zygsr2010@163.com
3、收稿日期：2017年7月26日基金：国家自然科学基金(批准号：11402199)LasercoolingofOHmoleculesintheoreticalapproachZhangYun-GuangZhangHuaDouGeXuJian-GangSchoolofScience,Xi'anUniversityofPostsandTelecommunications;Abstract：Ultracoldmoleculeshavewonderfullypotentialapplicationsinqu
4、antumsystem,precisionmeasurement,andchemicaldynamics,andsoon.Thus,peoplehaveastrongdesireforinvestigatingthepolentialcoolingcandidates.FeeisibilityoflasercooledOilmoleculesisinvestigatedbyabinitioquantumchemistry.Potentialenergycurvesforthegroundstate
5、X2IIandlow-lyingexcitedstateA’JofOHmoleculesarecalculatedbymulti-referenceconfigurationinteractionmethodtodevelopanapplicablecoolingtransition.Tnordertoobtainmoreaccurateresults,thecalculationsinvolveDeividsoncorrections,scalarrelativisticcorrcctions,
6、core-valencecorrelation，andspin-orbitcouplingeffeets.BasedontheobtainedpotentialenergycurvesofA-SandQstates,spectroscopicparametersaredeterminedbysolvingtheone-dimensionalradialSchrddingerequalion,whichareingoodagreementwithavailabletheoreticalandexpe
7、rimentalvalues.Thepermanentdipolemoments,transitiondipolemoments,vibrationallevels,Franck-CondonfactorsandradiativelifetimesofOHmoleculesarealsocalculated.TheresultsindicatethattheOHmoleculehasahighlydiagonallydistributedFranck-Condonfactor(f00=0.9053
8、)fortheA2S+(vz=0)->X2n(v''二0)transitionandshortradiativelifetime(too=5.8363X10_,s)fortheAJSstatc.ItmeansthattheOHmoleculemeetsthecriteriaasapromisingcandidatefordirectlasercooling,whichcanensurerapidandefficientlasercooling.Finally,aspecificsc
