Chinese Optics Letters, Volume. 7, Issue 8, 08663(2009)

MRCI potential energy curves and analytical potential energy functions for the X2\sum+ and 2\prod states of BO molecule

[in Chinese]
References(27)

[1] [1] S. R. Langhoff and C. W. Bauschlicher, Jr., J. Chem. Phys. 95, 5882 (1991).

[2] [2] H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988).

[3] [3] P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988).

[4] [4] C. L. Yang, Z. H. Zhu, R. Wang, and X. Y. Liu, J. Mol. Struct. (Theochem) 548, 47 (2001).

[5] [5] C. L. Yang and Z. H. Zhu, J. Mol. Struct. (Theochem) 571, 225 (2001).

[6] [6] C. L. Yang, Z. H. Zhang, T. Q. Ren, R. Wang, and Z. H. Zhu, J. Mol. Struct. (Theochem) 583, 63 (2002).

[7] [7] X.-Y. Zhang, C.-L. Yang, F. Gao, and T.-Q. Ren, Chin. Phys. 15, 1981 (2006).

[8] [8] A. N. Alexandrova, H.-J. Zhai, L.-S. Wang, and A. I. Boldyrev, Inorg. Chem. 43, 3552 (2004).

[9] [9] H.-J. Zhai, L.-S. Wang, D. Yu. Zubarev, and A. I. Boldyrev, J. Phys. Chem. A 110, 1689 (2006).

[10] [10] J. Niu, B. K. Rao, and P. Jena, J. Chem. Phys. 107, 132 (1997).

[11] [11] C.-L. Yang, X. Zhang, and K.-L. Han, J. Mol. Struct. (Theochem) 677, 11 (2004).

[12] [12] A. V. Nemukhin, J. Almlof, and A. Heiberg, Chem. Phys. 57, 197 (1981).

[13] [13] A. Papakondylis and A. Mavridis, Chem. Phys. Lett. 341, 382 (2001).

[15] [15] F. Zhang, Z. Deng, J. Yan, and Z. Zhang, Acta Opt. Sin. (in Chinese) 26, 1203 (2006).

[16] [16] J. N. Murrell and K. S. Sorbie, J. Chem. Soc. Faraday Trans. 2 70, 1552 (1974).

[17] [17] T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).

[18] [18] R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).

[19] [19] D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).

[20] [20] C.-L. Yang, X. Zhang, and K.-L. Han, J. Mol. Struct. (Theochem) 678, 183 (2004).

[21] [21] C. L. Yang, Z. H. Zhang, and T. Q. Ren, J. Chem. Phys. 116, 6656 (2002).

[22] [22] Z. Zhu and H. Yu, Molecular Structure and Potential Energy Function (in Chinese) (Science Press, Beijing, 1997) p.41, 43.

[25] [25] Q. Qian, C. Yang, F. Gao, and X. Zhang, Acta. Phys. Sin. (in Chinese) 56, 4420 (2007).

[26] [26] X.-Y. Zhang, C.-L. Yang, F. Gao, and T.-Q. Ren, J. Mol. Struct. (Theochem) 816, 97 (2007).

[27] [27] K. P. Huber and G. H. Herzberg, Constants of Diatomic Molecules (Van Nostrand, New York, 1979) p.382.