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In the frame work of multi-channel quantum defect theory, the energy levels of three autoionization Rydberg series converging to Sc+ 3d4s(1D2) with Jπ=(3/2)-,(5/2)- are calculated from first principles by relativistic multi-channel theory at two levels of approximation, i.e., frozen core approximation and that with consideration of dipole polarization. Considering dipole polarization effect, the difference between calculated and experimental quantum defects for the 3d4s(1D2)np2D3/2 and 3d4s(1D2)nf2F5/2 series are smaller than 0.01, thus the dipole polarization effects are important for the two autoionization Rydberg series. While for 3d4s(1D2)nf2D3/2 series, the calculated data by frozen core approximation are close to those by considering dipole polarization effects, and the difference between calculated and experimental quantum defects are generally about 0.04.
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Keywords:
- relativistic multichannel theory /
- multichannel quantum defect theory /
- electron-electron correlations /
- autoionization Rdberg series
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[2] Russell H N, Ward J F 1927 Scient. Pap. U. S. Bur. Stand. 22 329
[3] Robicheaux F, Greene C H 1993 Phys. Rev. A 48 4429
[4] Robicheaux F, Greene C H 1993 Phys. Rev. A 48 4441
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[6] Durgun E, Ciraci S, Yildirim T Phys. Rev. B 77 085405
[7] Garton W R S, Reeves E M, Tomkins F S, B Ercoli 1973 Proc. R. Soc. London. Ser. A 333 1
[8] Robicheaux F, Greene C H 1993 Phys. Rev. A 48 4450
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[10] Lee C M, Lu K T 1973 Phys. Rev. A 8 1241
[11] Jia F D, Wang J Y, Zhong Z P 2008 Chin. Phys. B 17 2027
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[15] Zou Y, Tong X M, Li J M 1995 Acta Phys. Sin. 44 50(in Chinese) [邹 宇、仝晓民、李家明 1995 44 50]
[16] Huang W, Zou Y, Tong X M, Li J M 1995 Phys. Rev. A 52 2770
[17] Li J M, Wu Y J, Pratt R H 1989 Phys. Rev. A 40 3036
[18] Yan J, Zhang P H, Tong X M, Li J M 1996 Acta Phys. Sin. 45 1978(in Chinese)[颜 君、张培鸿、仝晓民、李家明 1996 45 1978]
[19] Xia D, Li J M 2001 Chin. Phys. Lett. 18 1334
[20] Xia D, Zhang S Z, Peng Y L, Li J M 2003 Chin. Phys. Lett. 20 56
[21] Sossah A M, Zhou H L, Manson S T 2008 Phys. Rev. A 78 053405
[22] Shi Y L, Dong C Z Acta Phys. Sin. 2009 58 2350 (in Chinese) [师应龙、董晨钟 2009 58 2350]
[23] Libermann D A, Comer D T, Waber J T 1971 Comp. Phys. Commun. 2 107
[24] Li J M, Zhao Z X 1981 Acta Phys. Sin. 30 105(in Chinese)[李家明、赵中新 1981 30 105]
[25] Fano U 1961 Phys. Rev. 124 1866
[26] Fano U, Cooper J W 1965 Phys. Rev. 137 A1364
[27] Ma Y P, He L M, Zhang M, Zhu Y X 2009 Acta Phys. Sin. 58 7621 (in Chinese)[马怡培、贺黎明、张 孟、朱云霞 2009 58 7621]
[28] Qin W J, Dai C J, Zhao H Y, Xiao Y 2009 Acta Phys. Sin. 58 209 (in Chinese) [秦文杰、戴长建、赵洪英、肖 颖 2009 58 209]
[29] Shore B W 1968 Phys. Rev. 171 43
[30] Mies F H 1968 Phys. Rev. 175 164
[31] Wang J Y, Zhong Z P, Jia F D, Qu Y Z, Zhong Y P 2008 J. Phys. B 11 085002
[32] Jia F D, Zhong Z P, Sun W, Xue P, Xu X Y 2009 Phys. Rev. A 79 032505
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[1] Kaufman V, Sugar J 1988 J. Phys. Chem. Ref. Data 17 1679
[2] Russell H N, Ward J F 1927 Scient. Pap. U. S. Bur. Stand. 22 329
[3] Robicheaux F, Greene C H 1993 Phys. Rev. A 48 4429
[4] Robicheaux F, Greene C H 1993 Phys. Rev. A 48 4441
[5] Lane W N, Papaconstantopoulos D A, Michael J M 2007 Phys. Rev. B 76 134512
[6] Durgun E, Ciraci S, Yildirim T Phys. Rev. B 77 085405
[7] Garton W R S, Reeves E M, Tomkins F S, B Ercoli 1973 Proc. R. Soc. London. Ser. A 333 1
[8] Robicheaux F, Greene C H 1993 Phys. Rev. A 48 4450
[9] Lee C M (Li J M), Johnson W R 1980 Phys. Rev. A 22 979
[10] Lee C M, Lu K T 1973 Phys. Rev. A 8 1241
[11] Jia F D, Wang J Y, Zhong Z P 2008 Chin. Phys. B 17 2027
[12] Seaton M J 1983 Rep. Prog. Phys. 46 167
[13] Li J M 1980 Acta Phys. Sin. 29 419(in Chinese) [李家明 1980 29 419]
[14] Li J M 1983 Acta Phys. Sin. 32 84(in Chinese) [李家明 1983 32 84]
[15] Zou Y, Tong X M, Li J M 1995 Acta Phys. Sin. 44 50(in Chinese) [邹 宇、仝晓民、李家明 1995 44 50]
[16] Huang W, Zou Y, Tong X M, Li J M 1995 Phys. Rev. A 52 2770
[17] Li J M, Wu Y J, Pratt R H 1989 Phys. Rev. A 40 3036
[18] Yan J, Zhang P H, Tong X M, Li J M 1996 Acta Phys. Sin. 45 1978(in Chinese)[颜 君、张培鸿、仝晓民、李家明 1996 45 1978]
[19] Xia D, Li J M 2001 Chin. Phys. Lett. 18 1334
[20] Xia D, Zhang S Z, Peng Y L, Li J M 2003 Chin. Phys. Lett. 20 56
[21] Sossah A M, Zhou H L, Manson S T 2008 Phys. Rev. A 78 053405
[22] Shi Y L, Dong C Z Acta Phys. Sin. 2009 58 2350 (in Chinese) [师应龙、董晨钟 2009 58 2350]
[23] Libermann D A, Comer D T, Waber J T 1971 Comp. Phys. Commun. 2 107
[24] Li J M, Zhao Z X 1981 Acta Phys. Sin. 30 105(in Chinese)[李家明、赵中新 1981 30 105]
[25] Fano U 1961 Phys. Rev. 124 1866
[26] Fano U, Cooper J W 1965 Phys. Rev. 137 A1364
[27] Ma Y P, He L M, Zhang M, Zhu Y X 2009 Acta Phys. Sin. 58 7621 (in Chinese)[马怡培、贺黎明、张 孟、朱云霞 2009 58 7621]
[28] Qin W J, Dai C J, Zhao H Y, Xiao Y 2009 Acta Phys. Sin. 58 209 (in Chinese) [秦文杰、戴长建、赵洪英、肖 颖 2009 58 209]
[29] Shore B W 1968 Phys. Rev. 171 43
[30] Mies F H 1968 Phys. Rev. 175 164
[31] Wang J Y, Zhong Z P, Jia F D, Qu Y Z, Zhong Y P 2008 J. Phys. B 11 085002
[32] Jia F D, Zhong Z P, Sun W, Xue P, Xu X Y 2009 Phys. Rev. A 79 032505
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