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1、Thehydrogenmolecularioninnon-alignedmagneticfields#SongXuanyu1,LiCun1,WangXiaofeng2,QiaoHaoxue2*(1.CollegeofPhysicsandElectronicEngineering,XinyangNormalUniversity,Xinyang464000,51015China;2.DepartmentofPhysics,WuhanUniversity,Wuhan430072,China)Abstract:Usingthegauge-invar
2、iantGaussianatomicorbitals,thelowestungeradestate(1ustate)ofthehydrogenmolecularioninanon-alignedmagneticfieldisstudied.Theminimumsofthepotentialenergiesatdifferentorientationsarecalculatedatfieldstrengthsfrom2.3510^8Gto2.3510^11G.Comparedwiththeresultsobtainedusingthegenera
3、lGaussianatomicorbitals,theaccuracyofthepotentialenergyatcorrespondingequilibriumdistancehasbeenimprovedwithasmallerbasisset.Keywords:Atomicandmolecularphysics;hydrogenmolecularion;non-alignedmagneticfields0IntroductionThesubjectofatomicandmolecularsystemsinmagneticfieldsisa
4、veryfantasticbranchintheoreticalphysicsstudies.Sincethediscoveryofstrongmagneticfieldsinthesurfacesofwhitedwarfs(102−105T)[1]andneutronstars(107−109T)[2]atomicandmolecularsystemsinstrongmagneticfieldshasattractedincreasingattentions.Inthisextremecircumstance,theLorentzfor
5、cecouldchange,orevencompletelyreconstructthepropertiesoftheatomicandmolecularsystems.Forexample,thepotentialwellsinthepotential2025energycurves(PECs)ofsomerepulsivestatesofthehydrogenmolecularionH2+whichdonothavethepotentialminimuminthefreefieldcase,becomedeepwithincreasing
6、fieldstrength[3−7].ForthecaseofthemolecularaxisofH2+(supposeinzdirection)parallelingwiththehomogeneousmagneticfield,boththezcomponentoftheangularmomentumandtheparityareconserved.However,ifthemolecularaxisisnon-parallelwiththemagneticfield,themagneticquantumnumberisnotagoodqu
7、antumnumberanymore,andonlytheparityisstillagoodquantumnumber.KhersonskiiinitialedthesystematicstudyontheelectronstructureofH2+inanon-alignedmagneticfield[8,9]axiswiththemagneticfieldforthe1gand1ustates[10]surfaces(PESs)ofthegroundstateandsomelowestexcitedstateswithgeradean
8、dungerade30parityatγ=1a.u.(γ=B/B0,B0=2.35×109G)[11−13].Thebehaviorofthe1gs
