Full vibrational spectra of some electronic states of NaLi molecule using a difference converging method

Zheng Xiao-Feng; Fan Qun-Chao; Sun Wei-Guo; Fan Zhi-Xiang; Zhang Yi; Fu Jia; Li Bo

doi:10.7498/aps.64.203301

Abstract

For most diatomic electronic states, it is very difficult to obtain the accurate vibrational spectra of the highly-excited states directly by using the modern experimental techniques and quantum theories. Based on the general expression of diatomic molecular vibrational energy, the difference converging method (DCM) is used to give a new analytical expression in this paper. By using ten known vibrational energies, the full vibrational spectra, the vibrational spectroscopic constants of the highly-excited states, and the dissociation energy can be predicted for a diatomic electronic state. In this study, the full vibrational spectra of the electronic states 31Π, 41Π and A1Σ+ of NaLi molecule are studied with the DCM and the new formula. Results show that all the vibrational levels given in the experiments can be reproduced with an error rate less than 0.02 percent in our study. In addition, By comparing with the reported experimental results, we find 26, 45 and 31 new vibrational levels for 31Π, 41Π and A1Σ+ of NaLi molecule, respectively.

Keywords:

Authors and contacts

1.
Research Center for Advanced Computation, School of Science, Xihua University, Chengdu 610039, China;
2.
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
Funds: Project supported by the Key Project of Education Department of Sichuan Province, China (Grant No. 14ZA0117), the National Natural Science Foundation of China (Grant No. 11204244), the National Undergraduate Innovation and Entrepreneurship Training Programs of Sichuan Province, China (Grant No. 201310623017), the Yong Scholars Training Program of Xihua University, China, the Research Fund of Key Disciplines of Atomic and Molecular Physics, and the Fund of Key Laboratory of Advanced Scientific Computation of Sichuan Provice, China.

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[7]	Dulieu O, Raoult M, Tiemann E 2006 J. Phys. B: At. Mol. Opt. 39 19
[8]	Wippel V, Binder C, Windholz L 2002 Eur. Phys. J. D 21 101
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[11]	Bertoncini P J, Das G, Wahl A C 1970 J. Chem. Phys. 52 5112
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[13]	Wang R J, Chen Y Q, Cai P P, Lu J J, Bi Z Y, Yang X H, Ma L S 1999 Chem. Phys. Lett. 307 339
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[16]	Rosmus P, Meyer W 1976 J. Chem. Phys. 65 492
[17]	Engelke F, Ennen G, Meiwes K H 1982 Chem. Phys. 66 391
[18]	Fan Q C, Sun W G, Feng H 2009 Spectrochim. Acta A 74 911
[19]	Bang N H, Jastrzebski W, Kowalczyk P 2005 J. Mol. Spectrosc. 233 290
[20]	Jastrzebski W, Kowalczyk P, Nadyak R, Pashov A 2002 Spectrochim. Acta A 58 2193
[21]	Fellows C E, Verges J, Amiot C 1988 Mol. Phys. 63 1115
[22]	Petsalakis I D, Tzeli D, Theodorakopoulos G 2008 J. Chem. Phys. 129 54306
[23]	Petsalakis I D, Theodorakopoulos G, Grochol A, Kowalczyk P, Jastrzebski W 2009 Chem. Phys. 362 130
[24]	Bang N H 2008 Ph. D. Dissertation (Warsaw: University of Warsaw)
[25]	Hessel M M 1971 Phys. Rev. Lett. 26 215
[26]	Schmidt-Mink I, Mller W, Meyer W 1984 Chem. Phys. Lett. 112 120
[27]	Marques J M C, Prudente F V, Pereira F B, Almeida M M, Maniero A M, Fellows C E 2008 J. Phys. B: At. Mol. Opt. 41 85103
[28]	Sun W G, Wang Q, Zhang Y, Li H D, Feng H, Fan Q C 2015 J. Phys. B: At. Mol. Opt. 48 125201
[29]	Sun W G, Fan Q C, Li H D, Feng H 2011 Spectrochim. Acta A 79 35
[30]	Fan Q C, Sun W G, Li H D, Feng H 2011 Acta Phys. Sin. 60 063301 (in Chinese) [樊群超, 孙卫国, 李会东, 冯灏 2011 60 063301]
[31]	Sun W G, Hou S L, Feng H, Ren W Y 2002 J. Mol. Spectrosc. 215 93
[32]	Ren W Y, Sun W G, Hou S L, Feng H 2005 Sci. China G 48 385
[33]	Sun W G, Ren W Y, Hou S L, Feng H 2005 Mol. Phys. 103 2335
[34]	Ren W Y, Sun W G 2005 Acta Phys. Sin. 54 594 (in Chinese) [任维义, 孙卫国 2005 54 594]
[35]	Fellows C E 1989 J. Mol. Spectrosc. 136 369

Cited By

[1]	Le Roy R J, Lam W H 1980 Chem. Phys. Lett. 71 544
[2]	Gan W, Wu D, Zhang Z, Feng R R, Wang H F 2006 J. Chem. Phys. 124 114705
[3]	Woutersen S, Hamm P 2000 J. Phys. Chem. B 104 11316
[4]	Wang H Y, Zhu Z H, Meng D Q, Wang X L 2003 Chin. Phys. 12 154
[5]	Gao T, Wang H Y, Yi Y G, Tan M L, Zhu Z H, Sun Y, Wang X L, Fu Y B 1999 Acta Phys. Sin. 48 2222 (in Chinese) [高涛, 王红艳, 易有根, 谭明亮, 朱正和, 孙颖, 汪小琳, 傅依备 1999 48 2222]
[6]	Doyle J, Friedrich B, Krems R V, Masnou-Seeuws F 2004 Eur. Phys. J. D 31 149
[7]	Dulieu O, Raoult M, Tiemann E 2006 J. Phys. B: At. Mol. Opt. 39 19
[8]	Wippel V, Binder C, Windholz L 2002 Eur. Phys. J. D 21 101
[9]	Bang N H, Grochola A, Jastrzebski W, Kowalczyk P 2007 Chem. Phys. Lett. 440 199
[10]	Boldyrev A I, Simons J, Schleyer P R 1993 J. Chem. Phys. 99 8793
[11]	Bertoncini P J, Das G, Wahl A C 1970 J. Chem. Phys. 52 5112
[12]	Fellows C E, Gutterres R F, Tavares A D 1995 Chem. Phys. Lett. 236 538
[13]	Wang R J, Chen Y Q, Cai P P, Lu J J, Bi Z Y, Yang X H, Ma L S 1999 Chem. Phys. Lett. 307 339
[14]	Fellows C E 1991 J. Chem. Phys. 94 5855
[15]	Bang N H, Grochola A, Jastrzebski W, Kowalczyk P 2009 Opt. Mater. 31 527
[16]	Rosmus P, Meyer W 1976 J. Chem. Phys. 65 492
[17]	Engelke F, Ennen G, Meiwes K H 1982 Chem. Phys. 66 391
[18]	Fan Q C, Sun W G, Feng H 2009 Spectrochim. Acta A 74 911
[19]	Bang N H, Jastrzebski W, Kowalczyk P 2005 J. Mol. Spectrosc. 233 290
[20]	Jastrzebski W, Kowalczyk P, Nadyak R, Pashov A 2002 Spectrochim. Acta A 58 2193
[21]	Fellows C E, Verges J, Amiot C 1988 Mol. Phys. 63 1115
[22]	Petsalakis I D, Tzeli D, Theodorakopoulos G 2008 J. Chem. Phys. 129 54306
[23]	Petsalakis I D, Theodorakopoulos G, Grochol A, Kowalczyk P, Jastrzebski W 2009 Chem. Phys. 362 130
[24]	Bang N H 2008 Ph. D. Dissertation (Warsaw: University of Warsaw)
[25]	Hessel M M 1971 Phys. Rev. Lett. 26 215
[26]	Schmidt-Mink I, Mller W, Meyer W 1984 Chem. Phys. Lett. 112 120
[27]	Marques J M C, Prudente F V, Pereira F B, Almeida M M, Maniero A M, Fellows C E 2008 J. Phys. B: At. Mol. Opt. 41 85103
[28]	Sun W G, Wang Q, Zhang Y, Li H D, Feng H, Fan Q C 2015 J. Phys. B: At. Mol. Opt. 48 125201
[29]	Sun W G, Fan Q C, Li H D, Feng H 2011 Spectrochim. Acta A 79 35
[30]	Fan Q C, Sun W G, Li H D, Feng H 2011 Acta Phys. Sin. 60 063301 (in Chinese) [樊群超, 孙卫国, 李会东, 冯灏 2011 60 063301]
[31]	Sun W G, Hou S L, Feng H, Ren W Y 2002 J. Mol. Spectrosc. 215 93
[32]	Ren W Y, Sun W G, Hou S L, Feng H 2005 Sci. China G 48 385
[33]	Sun W G, Ren W Y, Hou S L, Feng H 2005 Mol. Phys. 103 2335
[34]	Ren W Y, Sun W G 2005 Acta Phys. Sin. 54 594 (in Chinese) [任维义, 孙卫国 2005 54 594]
[35]	Fellows C E 1989 J. Mol. Spectrosc. 136 369

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Vol. 64, Issue 20 - 2015-10-20

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