-
The analytical potential energy curves of stable diatomic electronic states are investigated based on the algebraic method (AM) and energy consistent method (ECM). The AM-ECM method is applied to 4 electronic states of 7Li2-23∑g+, KH-X1∑+, NaLi-X1∑+ and NaLi-A1∑+. The results show that the AM-ECM potentials are superior to some other analytical potentials, and can generate accurate analytical potential expressions of these electronic states in the molecular asymptotic and dissociation region.
-
Keywords:
- algebraic method /
- energy consistent method /
- potential energy function /
- diatomic molecule
[1] Matsunaga N, Zavitsas A A 2004 J. Chem. Phys. 120 5624
[2] Herberg G 1953 Molecular Spectra and Molecular Structure I (New York: Van Nostrand Press) pp387-392
[3] Morrison M A, Sun W G 1995 Computational Methods for Electron Molecule Collisions (New York: Plenum Press) pp131-135
[4] Wang H Y, Gao T, Huang Z, Zhu Z H 1999 Chin. J. Chem. Phys. 12 681 (in Chinese) [王红艳, 高涛, 黄整, 朱正和 1999 化学 12 681]
[5] Šurkus A 1996 Spectrochim. Acta A 52 661
[6] Morse P M 1929 Phys. Rev. 34 57
[7] Rydberg R Z 1931Physics 73 376
[8] Murrell J N, Sorbie K S 1974 J. Chem. Soc. Faraday Trans. II 70 552
[9] Huxley P, Murrell J N 1983 J. Chem. Soc. Faraday Trans. II 79 323
[10] Lennard-Jones J E 1942 Proc. Roy. Soc. A 106 463
[11] Sage M L 1984 Chem. Phys. 87 431
[12] San Fabián J, Casanueva J, San Fabián E, Guilleme J 2000 J. Chem. Phys. 112 4143
[13] Nakatsuji H 1978 Chem. Phys. Lett. 59 362
[14] Nakatsuji H 1991 Chem. Phys. Lett. 177 33l
[15] Moiler C, Plesset M S 1934 Phys. Rev. 46 618
[16] Wernal H J, Knowles P J 1988 J. Chem. Phys. 89 5803
[17] Kulik H J, Marzari N 2010 J. Chem. Phys. 133 114
[18] Qian Q, Yang C L, Gao F, Zhang X Y 2007 Acta Phys. Sin. 56 2007 (in Chinese) [钱琪, 杨传路, 高峰, 张晓燕 2007 56 2007]
[19] Shi D H, Zhang X N, Liu H, Zhu Z L, Sun J F 2010 Chin. Phys. B 19 103401
[20] Zhang J P, Shi D H, Sun J F, Liu Y F, Zhu Z L, Ma H 2009 Chin. Phys. B 18 558
[21] Xu G L, L W J, Liu Y F, Zhu Z L, Zhang X Z, Sun J F 2008 Chin. Phys. B 17 4481
[22] Sun W G, Feng H 1999 J. Phys. 5 109
[23] Royappa A T, Suri V, McDonough J R 2006 J. Mol. Struct. 787 209
[24] Sun W G, Hou S L, Feng H, Ren W Y 2002 J. Mol. Spectrosc. 215 93
[25] Sun W G, Fan Q C, Ren W Y 2007 Sci China G: Phys. Mech. Astron. 50 611
[26] Murrell J N, Sorbie K S 1974 J. Chem. Soc. Faraday. Trans. II 70 1552
[27] Huxley P, Murrell J N 1983 J. Chem. Soc. Faraday. Trans. II 79 323
[28] Sun W G, Feng H 1999 J. Phys. B: At. Mol. Opt. Phys. 32 5109
[29] Feng H, Sun W G, Liu Q N 2000 J. Mol. Spectrosc. 204 80
[30] Fan Q C, Sun W G 2009 Spectrochim. Acta A 72 298
[31] Fan Q C, Sun W G, Feng H 2009 Spectrochim. Acta A 74 911
[32] Lazarov G, Lyyra A M, Li L 2001 J. Mol. Spectrosc. 205 73
[33] Stwalley W C, Zemke W T, Yang S C 1991 J. Mol. Spectrosc. 20 153
[34] Engelke F, Ennen G, Meiwes K H 1982 Chem. Phys. 66 391
[35] Fellows C E 1989 J. Mol. Spectrosc. 136 369
-
[1] Matsunaga N, Zavitsas A A 2004 J. Chem. Phys. 120 5624
[2] Herberg G 1953 Molecular Spectra and Molecular Structure I (New York: Van Nostrand Press) pp387-392
[3] Morrison M A, Sun W G 1995 Computational Methods for Electron Molecule Collisions (New York: Plenum Press) pp131-135
[4] Wang H Y, Gao T, Huang Z, Zhu Z H 1999 Chin. J. Chem. Phys. 12 681 (in Chinese) [王红艳, 高涛, 黄整, 朱正和 1999 化学 12 681]
[5] Šurkus A 1996 Spectrochim. Acta A 52 661
[6] Morse P M 1929 Phys. Rev. 34 57
[7] Rydberg R Z 1931Physics 73 376
[8] Murrell J N, Sorbie K S 1974 J. Chem. Soc. Faraday Trans. II 70 552
[9] Huxley P, Murrell J N 1983 J. Chem. Soc. Faraday Trans. II 79 323
[10] Lennard-Jones J E 1942 Proc. Roy. Soc. A 106 463
[11] Sage M L 1984 Chem. Phys. 87 431
[12] San Fabián J, Casanueva J, San Fabián E, Guilleme J 2000 J. Chem. Phys. 112 4143
[13] Nakatsuji H 1978 Chem. Phys. Lett. 59 362
[14] Nakatsuji H 1991 Chem. Phys. Lett. 177 33l
[15] Moiler C, Plesset M S 1934 Phys. Rev. 46 618
[16] Wernal H J, Knowles P J 1988 J. Chem. Phys. 89 5803
[17] Kulik H J, Marzari N 2010 J. Chem. Phys. 133 114
[18] Qian Q, Yang C L, Gao F, Zhang X Y 2007 Acta Phys. Sin. 56 2007 (in Chinese) [钱琪, 杨传路, 高峰, 张晓燕 2007 56 2007]
[19] Shi D H, Zhang X N, Liu H, Zhu Z L, Sun J F 2010 Chin. Phys. B 19 103401
[20] Zhang J P, Shi D H, Sun J F, Liu Y F, Zhu Z L, Ma H 2009 Chin. Phys. B 18 558
[21] Xu G L, L W J, Liu Y F, Zhu Z L, Zhang X Z, Sun J F 2008 Chin. Phys. B 17 4481
[22] Sun W G, Feng H 1999 J. Phys. 5 109
[23] Royappa A T, Suri V, McDonough J R 2006 J. Mol. Struct. 787 209
[24] Sun W G, Hou S L, Feng H, Ren W Y 2002 J. Mol. Spectrosc. 215 93
[25] Sun W G, Fan Q C, Ren W Y 2007 Sci China G: Phys. Mech. Astron. 50 611
[26] Murrell J N, Sorbie K S 1974 J. Chem. Soc. Faraday. Trans. II 70 1552
[27] Huxley P, Murrell J N 1983 J. Chem. Soc. Faraday. Trans. II 79 323
[28] Sun W G, Feng H 1999 J. Phys. B: At. Mol. Opt. Phys. 32 5109
[29] Feng H, Sun W G, Liu Q N 2000 J. Mol. Spectrosc. 204 80
[30] Fan Q C, Sun W G 2009 Spectrochim. Acta A 72 298
[31] Fan Q C, Sun W G, Feng H 2009 Spectrochim. Acta A 74 911
[32] Lazarov G, Lyyra A M, Li L 2001 J. Mol. Spectrosc. 205 73
[33] Stwalley W C, Zemke W T, Yang S C 1991 J. Mol. Spectrosc. 20 153
[34] Engelke F, Ennen G, Meiwes K H 1982 Chem. Phys. 66 391
[35] Fellows C E 1989 J. Mol. Spectrosc. 136 369
Catalog
Metrics
- Abstract views: 6723
- PDF Downloads: 515
- Cited By: 0
下载:
