Method for studying diatomic rovibrational spectra at a given vibrational state
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摘要
An algebraic method for rotational energies at a given vibrational state(AMr(v)) is proposed in this study in order to obtain unknown high-lying rovibrational energies. Applications of this method to the ground electronic state X~1Σ~+of CO and the excited state C~1Σ~+of~(39)K~7Li molecules show the following:(1) the AMr(v) can give the rational upper limit J of a rotational quantum number of a diatomic electronic state;(2) the full AMr(v) rovibrational energies {E_(υJ)}_υ of given vibrational states not only reproduce all known experimental data excellently but also predict precisely the values of all high-lying rovibrational energies,which may not be available experimentally.
An algebraic method for rotational energies at a given vibrational state(AMr(v)) is proposed in this study in order to obtain unknown high-lying rovibrational energies. Applications of this method to the ground electronic state X~1Σ~+of CO and the excited state C~1Σ~+of~(39)K~7Li molecules show the following:(1) the AMr(v) can give the rational upper limit J of a rotational quantum number of a diatomic electronic state;(2) the full AMr(v) rovibrational energies {E_(υJ)}_υ of given vibrational states not only reproduce all known experimental data excellently but also predict precisely the values of all high-lying rovibrational energies,which may not be available experimentally.
An algebraic method for rotational energies at a given vibrational state(AMr(v)) is proposed in this study in order to obtain unknown high-lying rovibrational energies. Applications of this method to the ground electronic state X~1Σ~+of CO and the excited state C~1Σ~+of~(39)K~7Li molecules show the following:(1) the AMr(v) can give the rational upper limit J of a rotational quantum number of a diatomic electronic state;(2) the full AMr(v) rovibrational energies {E_(υJ)}_υ of given vibrational states not only reproduce all known experimental data excellently but also predict precisely the values of all high-lying rovibrational energies,which may not be available experimentally.
引文
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25 A.Grochola,P.Kowalczyk,W.Jastrz?bski,P.Crozet,and A.J.Ross,Acta Phys.Pol.A 102,729(2002).
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2 R.Wynar,R.S.Freeland,D.J.Han,C.Ryu,and D.J.Heinzen,Science 287,1016(2000).
3 D.Demille,and E.R.Hudson,Nat.Phys.4,911(2008).
4 B.Xiao,S.Kado,S.Kajita,and D.Yamasaki,Plasma Phys.Control.Fusion 46,653(2004).
5 M.Mladenovi?,Spectrochim.Acta Part A-Mol.Biomol.Spectr.58,809(2002).
6 T.J.Martínez,M.Ben-Nun,and R.D.Levine,J.Phys.Chem.A 101,6389(1997).
7 P.D.Kleiber,J.Cooper,K.Burnett,C.V.Kunasz,and M.G.Raymer,Phys.Rev.A 27,291(1983).
8 P.Staanum,A.Pashov,H.Kn?ckel,and E.Tiemann,Phys.Rev.A 75,042513(2007).
9 V.Bednarska,I.Jackowska,W.Jastrz?bski,and P.Kowalczyk,J.Mol.Spectr.189,244(1998).
10 G.Lazarov,A.M.Lyyra,and L.Li,J.Mol.Spectr.205,73(2001).
11 J.T.Kim,H.Wang,J.T.Bahns,and W.C.Stwalley,J.Mol.Spectr.181,389(1997).
12 M.Korek,and H.Kobeissi,Can.J.Chem.71,313(1993).
13 M.Korek,and H.Kobeissi,J.Comput.Chem.13,1103(1992).
14 J.A.Coxon,and P.G.Hajigeorgiou,J.Chem.Phys.132,094105(2010).
15 M.Korek,and A.R.Allouche,Chem.Phys.189,33(2001).
16 A.Shayesteh,R.J.Le Roy,T.D.Varberg,and P.F.Bernath,J.Mol.Spectr.237,87(2006).
17 W.Sun,Y.Zhang,Q.Fan,H.Feng,J.Fu,H.Li,J.Ma,L.Xiao,and S.Jia,Spectrochim.Acta Part A-Mol.Biomol.Spectr.132,32(2014).
18 J.L.Dunham,Phys.Rev.41,721(1932).
19 G.Herzberg,and S.Mrozowski,Molecular Spectra and Molecular Structure.I.Spectra of Diatomic Molecules(D.Van Nostrand Company,New York,1950),p.273.
20 W.Sun,S.Hou,H.Feng,and W.Ren,J.Mol.Spectr.215,93(2002).
21 Y.Zhang,W.Sun,J.Fu,Q.Fan,J.Ma,L.Xiao,S.Jia,H.Feng,and H.Li,J.Quant.Spectr.Radiat.Transfer 120,81(2013).
22 Y.Zhang,W.Sun,J.Fu,Q.Fan,J.Ma,L.Xiao,S.Jia,H.Feng,and H.Li,Spectrochim.Acta Part A-Mol.Biomol.Spectr.117,442(2014).
23 K.Xu,Advanced Atomic and Molecular Physics(Science Press,Beijing,2011),p.150.
24 A.P.Mishra,B.J.Shetty,and R.J.Kshirsagar,J.Mol.Spectr.232,296(2005).
25 A.Grochola,P.Kowalczyk,W.Jastrz?bski,P.Crozet,and A.J.Ross,Acta Phys.Pol.A 102,729(2002).
26 Y.F.Liu,Y.Jia,D.H.Shi,and J.F.Sun,J.Quant.Spectr.Radiat.Transfer 112,2296(2011).