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ALKALINE LINES BROADENING IN STARS. A.DEKERTANGUY 5 LERMA, 1 OBSERVATOIREDEPARIS-MEUDON 0 92195MEUDONFRANCE 2 [email protected] n a J ABSTRACT. Givingnewinsightforlinebroadeningtheoryforatomswithmorestructure thanhydrogeninmoststars.Usingsymbolicsoftwaretobuildprecisewavefunctionscor- 4 rectedforδs,δpquantumdefects.Theprofilesobtainedwiththatapproach,havepeculiar 1 trends,narrowerthanhydrogen,allquantumdefectsusedaretakenfromatomicdatabase topbase.Illustrationofstrongereffectsofionsandelectronsonthealkalineprofiles,than ] neutral-neutralcollisionmechanism. h keywords:Stars:fundamentalparameters-Atomicprocesses-Line:profiles. p - n e g . 1. INTRODUCTION s c Herewedefinewhatisneededforthetheory:Weintroducetheprofilefunctionnormal- i s ized: F(∆ω)requiringnormalization: y (cid:90) ∞ h (1) F(∆ω)d(∆ω)=1 p −∞ [ Theradiantpowerfunction,thatisthepoweremittedthougunitfrequencyis: 1 4ω4 v (2) P(∆ω)= F(∆ω) 3 3c3 8 WerecallthetworelationsdefiningtheFouriertransformsvariables: ω ands(timevari- 2 able)suchthatω.sisdimensionless. 5 (cid:90) ∞ 0 Φ(s)= ei∆ω.sF(∆ω)d(∆ω) 2. −∞ 1(cid:90) ∞ 0 (3) I(∆ω)= Φ(s)ei∆ω.sds 5 π −∞ 1 : 2. HYDROGENFACTS v Xi Recalling some facts on Hydrogen lines broadening: such as Balmer lines Hα, and Hβ or Lyman lines : Lyα, and Lyβ h¯ω being the energy gap between levels defining r 0 a a transition i→ f the detuning ∆ω giving rise to F(∆ω) for hydrogen lines is mainly first order Stark effect: for instance exists for Hβ whose wavelength at the centre of the n =4→n =2transitionis: λ =486.1nm. f i 0 These Hydrogen lines are broad because of the degeneracy of levels defined by |nlm> therecanexistsg=2×(2l+1)foranldefinedstatesuchas0≥l≤n−1foranidentified HlinesuchasHβ n =4→n =2linewehaveN=4.n2×n2thatis512sublevelsimplied f i f i and128neglectingtheelectronspin. Goodliteratureexistsforsuchmatters,thatistaking Date:February19,2015. 1 2A.DEKERTANGUYLERMA,OBSERVATOIREDEPARIS-MEUDON92195MEUDONFRANCEAMAURY.DEKERTANGUY@OBSPM.FR into account for perturbers (ions and electron) effects on the radiating atom. Feautrier (1976). 3 (4) ∆E= n×(n −n )eF+O(F2) 1 2 2 (5) ∆E= h¯∆ω =h¯(ω −ω) 0 h¯2 (6) ∆E= h¯∆ω = (k2−k2) 2m i f e Thesetwoapproachesgivesrisetothecompletetheoryofbroadening: 1)whenthestaticfield|F|=Cstisconstantrelativelytodecayrate,infactafieldgenerated bystaticheavychargesionsorprotons(relativelytotheelectron)). ThentheStarkprofile hassuchdependence: −5 (7) I(λ)(cid:39)|∆λ| 2 2)ThefieldF(t)variesquicklybeforetheatomrelaxes, e2 (8) F(t)(cid:39) r2(t) (9) (cid:126)r(t)(cid:39)(cid:126)b+(cid:126)v.t Thequantumtheoryofoneelectron+H(orradiatingatom)systemVanRegemorter(1972) impliestherelationh¯∆ω = h¯2 (k2−k2)isthegoodanswertotakeintoaccountforlarge 2me i f ∆ω andreplacestheimpactparametersemi-classicalapproach. 3. ALKALINELINES Dealing with atoms having a structure such as alkalines: Li, Ca, K, Mg, Na or atoms such as He, and O. These atoms can be modelled using what is called since a long time Born(1926)thequantumdefect. Theopticalelectron: theonethatgivesrisetotransition (quantumjumps(α →β)suffersfromanadditionalpotential: thepolarizationpotential: V (r)=−αD,α beingthedipolarstaticpolarizibilty. Thefulltheorybeginswithrecent p 2r4 D review work Schwerdtfeger (2006) and displays the development of an energy level as ordersofthefieldstrengthF:(if(cid:126)F(t)=(cid:126)E )thisthewellknownStarkeffect. 0 dE 1d2E E(F)=E + dF+ dF2+O(F3) 0 dF 2dF2 The polarization potential varying as r−4 is easily reckognized as the second order term dF2. Let’usintroducethewaytodealwiththeV (r)potential. p (10) (cid:126)p= α .(cid:126)E D (11) dV = −(cid:126)p.d(cid:126)E p (12) dV = −α (cid:126)E.d(cid:126)E p D α D (13) V (r)= − p 2r4 (14) ALKALINELINESBROADENINGINSTARS. 3 3.1. Semi-classical expression. How to deal with: Let’us start with the semi-classical formulafortheprofileF(ω) (15) F(ω)= lim (cid:90) T2 dt.ei.ω.t|<Ψ(t)|(cid:126)D|Ψ (t)|2 1 i f T →∞ −T 2πT 2 ThisequationisputforwardinVanRegemorter(1972)inhisreviewofspectrallinebroad- ening. I adapt that question to a quite similar way: I need not have |Ψ(t)> as a time i dependantwavefunction,butthemodifyedradial|Ψ((cid:126)r)>withnotimedependence. Giv- ingforalkalinespecies,withknownquantumdefects(therearedatafromTopbase): (16) α = n l i∗ i∗ (17) |Ψ ((cid:126)r)>= R ×Y (θ,φ) α α α (18) β = n l f∗ f∗ (19) |Ψ ((cid:126)r)>= R ×Y (θ,φ) β β β orforHydrogenthewellknownbasicket|R (r)×Y (θ,φ)> nl lm (20) nl= n l i∗ i∗ (21) |Ψ ((cid:126)r)>= R ×Y (θ,φ) nl nl lm (22) n(cid:48)l(cid:48)= n l f f (23) |Ψn(cid:48)l(cid:48)((cid:126)r)>= Rn(cid:48)l(cid:48)×Yl(cid:48)m(cid:48)(θ,φ) Ourpurposeistodefinethemostefficientway,the|Ψ ((cid:126)r)>usingtruequantumdefects α leadington : theeffectivequantumnumber. Eachatomicspecieshasitspeculiarquan- ∗ tumdefect. ThesearenowavailablefromdatabasesuchasTopbase. Nowitisafactthat the l kinetic momentum is defined by eigen value of the spherical harmonics for a pure Coulombpotential,becomesl =l−δ thedegeneracyofthelevelsdisappears. Thequan- ∗ s tumnumbersetis:α≡n =n−δ,l =l−δ.Thephysicaleffectproducedcanbeexplain ∗ l ∗ l thisway:theopticalelectongettingawayfromtheclosedshellbeneathpolarizesthecore shell, the higher the levels of the optical electron , the nearest to hydrogenic ”states” are thetransitions. L= 0≡S→δ s L= 1≡P→δ p δ ≡ δ ≥δ ≥δ ≥δ →0 l s p d f (24) 4. TIMEDEPENDENTMETHOD It is seen that one can change the semi-classical formula, into the way suggested by Schiff(1968),withnolessgenerality. Ψα((cid:126)r,t)=Ψα((cid:126)r,0)×eiEh¯αt. the same for the |β >| that is: Ψβ((cid:126)r,t)=Ψβ((cid:126)r,0)×eiEh¯βt . Thetransitionprobabilityisproportionalto: |<Ψα|V((cid:126)r)|Ψβ|>|2×ei.ωβα.t. FromthetextbookofL.I.Schiff,weusehisg(t)plateau functiontotransformandtherelationT =1−S: i (cid:90) ∞ (25) <β|(S−1)|α >=− <α|T|β > g(t)ei.ωβα.t h¯ −∞ TheP(∆ω)functionisthenproportionalto: w ∝|<α|T|β >|2thetransitionprobalibity. αβ 4A.DEKERTANGUYLERMA,OBSERVATOIREDEPARIS-MEUDON92195MEUDONFRANCEAMAURY.DEKERTANGUY@OBSPM.FR Thefollowingoperatorsarethesame: A(t)=|<Ψ ((cid:126)r,t)|(cid:126)D|Ψ ((cid:126)r,t)>|2and α β B(t)=|<Ψ ((cid:126)r)|(cid:126)D|Ψ ((cid:126)r>)|2×g(t,t ) α β 0 ALKALINELINESBROADENINGINSTARS. 5 5. TOWARDTHEMGPROFILES ItisclearthatonecanobtainthewavefunctionsofthesealkalineelementssuchasMgI neutralwithsomequantumdefects: δ =1.52andδ =1.04andδ =0.56S=0(Singlet) s p d δ =1.63andδ =1.12andδ =0.17S=1(Triplet)seeRef. Born(1926),pp190 s p d TheretheI istheKostelecky´ index,takingvaluessuchas1or2.Kostelecky´ (1984) K This is done to insure the positivity of quantum numbers n l . For a Mg3s→3p or a ∗ ∗ Mg3s→4p(S=0),thequantumnumbersarebelow: (26) α = n =3−δ =1.48 i∗ s (27) l = 0−δ +I i∗ s K (28) |Ψ ((cid:126)r)>= R (r)×Y (θ,φ) α α α (29) β = n =3−δ =1.96 f∗ p (30) l = 1−δ f∗ p (31) |Ψ ((cid:126)r)>= R (r)×Y (θ,φ) β β β ThefulltheoryofthecalculationofwavefunctionsofsuchtypeisdoneinBates(1949), itimpliessubtletransformationswiththetheoryoftheKostelecky´ index,relatedtosuper- symmetry transformations Kostelecky´ (1984). The quantum analog to the classical Born atomicmodel,withtheprecessionoftheellispse,isobtainedbyBates(1949). Thegood quantumtheoryneedstoconsideramodificationoftheY (θ,φ)→Y (θ,φ)Itisuseful lm l∗m∗ tocomparetwotransitionssuchas:Mg3p→4stripletquantumdefectstoconsiderwhose wavelengthisλ =517.83nmwithanHydrogenlinesuchasH3p→4sλ =1875.11nm. if if Alldatatakenfrom NBS(1969).Theratiooftheintensitiesisgivenby: |<αn ,l |r.cos(θ)|βn(cid:48),l(cid:48) >|2 (32) R= ∗ ∗ ∗ ∗ ∑l |<n,l,m,|r.cos(θ)|n(cid:48),l±1,m>|2 m=−l TheratioRcanbeconsideredastheratiooftheEinsteinA ofthetwolines,forsuchtwo ik lines: R=0.56×10−6 Formostionicspecies,whosesingleoropticalelectrongainshighdistances <r >=n2a ≥20a , the quantum defects disappear, leading to simple hydrogenic be- ∗ 0 0 haviour,thewavefunctionsturntobetheseofHydrogen. 5.1. Towardtheglobaltheory. Weusetheupwarddefinitionforthelineshape: (cid:90) ∞ (33) F(ω)= |<Ψ |(cid:126)D.f(t)|Ψ >|2dt α β −∞ (34) g(t)= f(t).f(t) (cid:90) ∞ (35) F(ω)= |<Ψ |(cid:126)D|Ψ >|2 e−iωt.g(t)dt α β −∞ (36) TheseFouriertransformsareeasilyperformedwith”Mathematica”,andIwriteherethe g(t,t ),t beingthewidthofthe”plateau”inseconds. 0 0 (37) g(t,t )=e(−t+t0)H(t−t )+H(−t+t )+H(t−t )+e(t−t0)H(−t+t ) 0 0 0 0 0 Hereisthepictureofthedistributionfunctiong(t,t ): 0 Itisrealllyinterestingtohavefastsymbolicsoftwaresuchas”Mathematica”,toperform theFourierTransformofthefunctiong(t,t )assumingthatt ≥0togetF(ω,t ),andhave 0 0 0 6A.DEKERTANGUYLERMA,OBSERVATOIREDEPARIS-MEUDON92195MEUDONFRANCEAMAURY.DEKERTANGUY@OBSPM.FR negativesecondwaytogHtL Schifffunction 1.0 0.9 0.8 0.7 0.6 -10 -5 5 10 negativesecondwaytogHtL Schifffunction 1.0 0.9 0.8 0.7 0.6 -10 -5 5 10 FIGURE1. g(t,t0)functiont0=3st0=5s itasagoodanalyticalfunction: √ (38) F(ω,t )= I√1 2 (1−e−t0ω+2ωcos(ωt0)) 0 πω 1+ω2 It is interesting to look at the behaviour of the profile function F(ω,t ) , this function 0 oscillatesbecauseofthephasescontainedintheexpresssion. For a given ω the shorter is the t width the least the profile F(ω) oscillates. To obtain 0 the good former profile function we need to replace in the defined function F(ω,t ) the 0 variable ω by the variable ∆ω = ω−ω . Here are some pictures of the alkaline Mg 0 element: Hereω isthefrequencyassociatedwiththecenterofthelineω = Eβ−Eα. 0 0 h¯ ALKALINELINESBROADENINGINSTARS. 7 TheparameterI =|<Ψ |(cid:126)D|Ψ >|2,shouldbetheintensityatthecenterofthelinethat 1 α β isω =ω .ThatdefinitionofI shallbemodifiedtotakeintoaccountthepressureeffect. 0 1 6. THECUT-OFFRADIUSANDITSSIGNIFICANCEUPONTHEPROFILEF(∆ω,t0). Asimpleandefficientwaytotakeintoaccountthepressureeffectwhoseorigincomes −1 fromexternalparametersuchasdensityN andthusthecut-offisthefollowingL =N 3 . A A A Thiscut-offparameterL istheonetousewhentherearenocharges,andthesurrounding A of the emitters is mainly done of atomic species of density N . If the emitters of the A transitionα →β arepartofaplasma,withadegreeofionization: τ = Ne Ne+NA thegoodcut-offcouldbetheshorterofthethetwoStehle´ (1996)thatis: (cid:114) kT e (39) λD = e 4πe2.N e (cid:114) T (40) λD = 6.9×108 e(nm,K,cm−3) e N e λD e (41) λD = i (cid:113) 1+ <Z2.Te <Z>.Ti ρ = Min(λD(N ,T),L ) C e A λDN( ) that is the Debye radius to compare the spatial extension L , because of the ions A distributionofthechargesintheplasma. 7. EFFECTOFTHECUT-OFFONTHEVALUEOBTAINEDFORTHEDIPOLARSQUARED MATRIXELEMENTdαβ=|<α|(cid:126)D|β >|2 That simple explanation to take into account for pressure effects on radiating atoms ,partsofsuchmedia,suchasexistsinAstrophysics:-Staratmospheres,-Dustininterstellar matter. -Molecular clouds. Finding the wayto define the upperlimit ρ for theemitting C atoms,andtobuildthewavefunctionswiththeirpeculiarquantumdefectsforeachspecies (Li, Na, O ,Al , Ca ,Na ,Mg and even He) now easily reached with modern symbolic calculationsoftware,IdefinetheretheaprobabilityfunctionP (x): α,β |(cid:82)x(T)<α|(cid:126)r|β >|2 (42) P (x,T)= 0 αβ |(cid:82)∞<α|(cid:126)r|β >|2 0 8. SOMERESULTSCOMINGFROMTHEPαβ(x,T)function Thevariationdomainofthisfunctionisthe-halfrealaxis, strictlypositiveassuitable foralength. Wecanconsidersuchfunction: (43) 0≤P (x(T)≤1 α,β P (0)=0voidofparticle. αβ P (x)=0squeezedstateoftheopticalelectron. αβ P (∞)=1existenceoftheparticule. αβ 8A.DEKERTANGUYLERMA,OBSERVATOIREDEPARIS-MEUDON92195MEUDONFRANCEAMAURY.DEKERTANGUY@OBSPM.FR 9. ANALYTICALRESULTSFORF(∆ω,t0)TAKENFROMΦ(t). Insuchmatterwedeltwith:twodistinctsproblemsaresolved:Thenonhydrogenicbe- haviouroftheemittersorabsorbers(He,Li,O,Mg,Ca,Na,K)andtheirionizedspecies,is modelledwiththequantumdefectsfromwhichexistalargelitteratureandevendatabases suchasTopbase. Thecorrectbuildingofthewavefunctionsisasolvedproblem. deKer- tanguy (1979 ). The second problem solved in this paper, is the good way to obtain the profileF(∆ω)fromtheFouriertransformΦ(t),whosevalueincludestherestrictionofthe wavefunctionthroughthecut-offparameter,ρ =x(T). Asamatteroffactanoscillation C effectundertheenvelopoftheF(∆ω)≤ Γ . |∆ω2 Γ beingthelimitingimpactprofilefunctionforlightperturbersaselectrons. Therethe ∆ω2 transitionfrequencyω forans(δ )→mp(δ )transitionisgivenby: I =13.606eV and 0 s p H e=|q|=1.6021910−19Cand∆E isgiveninatomicunitsua. αβ (44) ω = 2.48181014π×I ×∆E 0 H αβ (45) ω = e×ω (Hz) 0 0 1 1 1 (46) ∆E = ( − ) αβ 2 n2 m2 ∗ ∗ n = n−δ ∗ s m = m−δ ∗ p Setting∆ω =ω−ω . 0 Fixingthet parameterthatisthewidthofthesmoothfunctiong(t,t ). 0 0 I rewrite down the Fourier Transform with the modified constant I changed into a Γ 1 i→f resulting from the shortening of the radial integration domain or ”incomplete” dipolar squaredmatrixelement. (cid:90) x OpeQDFunction(x,ind,3,4)= (r2+ind)φ (r)φ (r)dr n=3−δs n=4−δp 0 a istheBohrradius. 0 (47) I =n3×(OpeQDFunction(0.1,1,3,4)2)a3 1 ∗ 0 TheΓ parameterisallwaysdefinedbythechosentransitioni→ f isobtainedbysolv- i→f ing: (48) g(t,t )×Γ =OpeQDFunction(t,1,n,n ) 0 i→f i f √ (49) F(∆ω,t0)= Γi√→πfω2×(1−e−t0ω1++2ωω2cos(ωt0)) This function F(∆ω,t ) can be integrated on the ∆ω variable from −∞→∞. Using the 0 Stehle´ (1996), as a reference a function such as F1(∆ω)= Γ can not be normalized (∆ω)2 whenintegratedfrom−∞→∞whileafunctionsuchasF(∆ω,t )can. 0 Infact: (cid:90) ∞ (50) F1((∆ω)d∆ω = 0 −∞ (cid:90) ∞ √ (51) F((∆ω,t0)d∆ω = Γi→fet0 2π −∞ ALKALINELINESBROADENINGINSTARS. 9 10. CONCLUSIONS Thisworkwhoseconclusionisanewinsighttocomplexatoms(morestructurethanHy- drogen)linebroadening,liesontwodifferentpoints. First,thepressureeffectisincluded inthecalculationoftheprobabilityfunctionP (x(T,N),wherex(N,T)isthecut-offpa- αβ rameter ρ to be used. The surrounding of the radiating atom will fix it. It is clear that C whenx(N,T)→∞theisolatedatomlineprofileisobtained,inbetweenthepressureeffect istakenintoaccount!. Thesecondinterestingfactisincludedinthedefinitionofthewidth t of the smoothed g(t,t ) distribution function: It can exhibit oscillations of the profile 0 0 F(∆ω,t ). The choice of the width t should be driven by a sound consideration of the 0 0 surrounding atoms or ions background. It seems plausible the densest is the medium of thesurroundingplasmaorbathofneutralperturbers,theshorterthet shouldbe! Hereare 0 somesketchesinFig.4andFig.5oftheF(∆ω,t )fordifferentwidtht whoserangegoes 0 0 fromt =1µstot =20s 0 0 1A0.DEKERTANGUYLERMA,OBSERVATOIREDEPARIS-MEUDON92195MEUDONFRANCEAMAURY.DEKERTANGUY@OBSPM.FR 11. ACKNOWLEDGEMENTS TheauthorthanksB.AlbertofthecomputerdepartmentoftheLERMAforhistechnical assistance. REFERENCES Bates,D.R.&DamgaardA.,Philos.Trans.Roy.Soc.,London,serieA,1949-1950,242, 103. Born,M.1926MechanicsoftheAtom,Ungar,1926 deKertanguy,A.,TranMinh,N.andFeautrier,N.,1979J.Phys.B:At.Mol.Phys.12365 Feautrier, N., Tran Minh, N.T. , Van Regemorter, H. ,1976 J. Phys. B: At. Mol. Phys. 9 1871 Kostelecky´,V.A.andNieto,M.M.,Phys.Rev.Lett.53,2285(1984)Phys.Rev.A32,1293 (1985). NBS1969,AtomicTransitionProbabilities,U.S.DepartmentofCommerce. Schwerdtfeger,P.AtomicStaticDipolePolarizabilities,inComputationalAspectsofElec- tric Polarizability Calculations: Atoms, Molecules and Clusters, ed. Maroulis, G. IOS Press,Amsterdam,2006;pg.1-32.Goldman,S.P.Gauge-invariancemethodforaccurate atomic-physicscalculations: Applicationtorelativisticpolarizabilities,.(2000) Schiff,L.I.1968Quantummechanics3d EditionMcGraw-Hill(1968). Stehle´,C.1996Astronomy&Astrophysics,305,677-686 Van Regemorter, H. 1972 Atoms and molecules in astrophysics. Proceedings of the 12th SessionoftheScottishUniversitiesSummerSchoolinPhysics,August,1971.Editedby Carson, T.R. and Roberts, M. J. QB461.S431 1971 c.2. ISBN 0-12-161050-0, Library ofCongressCatalogCardNumber72-84455.PublishedbyAcademicPress,1972,p.85

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