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The detailed stereodynamics of the reaction Li+HF(v=0–3) with different collision energy and in different vibration-excited state has been carried out by using the quasi-classical trajectory (QCT) method based on a new potential energy surface constructed by Aguado and Pariagua (Aguado and Paniagua J. Chem. Phys., Vol. 119, No. 19, 2003). The correlated k-j', k-k'-j' angular distributions and the polarization-dependent differential cross sections (PDDCSs) are discussed in detail. The results indicate that the collision energy has more impact on the P(θr) distributions describing the k-j' correlation than the vibration excitation. The distributions of P(φr) describing the k-k'-j' correlation, as well as the polarization-dependent generalized differential cross-sections, are sensitive to the vibration excitation. Meanwhile, the collision energy also has more influence on them.
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Keywords:
- vector correlation /
- stereodynamics /
- quasi-classical trajectory method /
- polarization dependent differential cross sections (PDDCSs)
[1] Xu W W, Liu X G, Luan S X, Sun S S, Zhang Q G 2009 Chin. Phys. B 18 339
[2] Liu X G, Sun H Z, Liu H R, Zhang Q G 2010 Acta Phys. Sin. 59 779 (in Chinese) [刘新国, 孙海竹, 刘会荣, 张庆刚 2010 物理学报 59 779]
[3] Xiao J, Yang C L, Wang M S 2012 Chin. Phys. B 21 043101
[4] Liu Y F, He X H, Shi D H, Sun J F 2011 Chin. Phys. B 20 078201
[5] Xu W W, Liu X G, Luan S X, Zhang Q G 2009 Chem. Phys. 355 21
[6] Kong H, Liu X G, Xu W W, Liang J J, Zhang Q G 2009 Acta Phys. Sin. 58 6926 (in Chinese) [孔浩, 刘新国, 许文武, 梁景娟, 张庆刚 2009 物理学报 58 6926]
[7] Zhang W Q, Cong S L, Zhang C H, Xu X S, Chen M D 2009 J. Phys. Chem. A 113 4192
[8] Zhang W Q, Li Y Z, Xu X S, Chen M D 2010 Chem. Phys. 367 115
[9] Duan L H, Zhang W Q, Xu X S, Cong S L, Chen M D 2009 Mol. Phys. 107 2579
[10] Zhang C H, Zhang W Q, Chen M D 2009 J. Theor. Comput. Chem. 8 403
[11] Hobel O, Paladini A, Russo A, Bobbenkamp R, Loesch H J 2004 Phys. Chem. Chem. Phys. 6 2198
[12] Herschbach D R 1996 Adv. Chem. Phys. 10 319
[13] Odiorne T J, Brooks P R, Kasper J V V 1971 J. Chem. Phys. 55 1980
[14] Pruett J G, Zare R N 1976 J. Chem. Phys. 64 1774
[15] Karny Z, Estler R C, Zare R N 1978 J. Chem. Phys. 69 5199
[16] Karny Z , Zare R N 1978 J. Chem. Phys. 68 3360
[17] Bartoszek F E, Blackwell B A, Polanyi J C, Sloan J J 1981 J. Chem. Phys. 74 3400
[18] Zhang R, Rakestraw D J, McKendrick K G, Zare R N 1988 J. Chem. Phys. 89 6283
[19] Hoffmeister M, Schleysing R, Stienkemeier F, Loesch H J 1989 J. Chem. Phys. 90 3528
[20] Aguado A, Paniagua M 1992 J. Chem. Phys. 96 1265
[21] Suarez C, Aguado A, Tablero C, Paniagua M 1994 Int. J. Quantum Chem. 52 935
[22] Becker C H, Casavecchia P, Tiedemann P W, Valentini J J, Lee Y T 1980 J. Chem. Phys. 73 2833
[23] Aguado A, Sufirez C, Paniagua M 1995 Chem. Phys. 201 107
[24] Aguado A, Paniagua M 1997 J. Chem. Phys. 106 1013
[25] Yuan M H Zhao G J 2010 Int J Quantum Chem 110 1842
[26] Wang T Yue X F 2011 Chin. Phys. Lett. 28 023101
[27] Jasper A W, Hack M D, Truhlar D G 2002 J. Chem. Phys. 116 8353
[28] Aguado A, Paniagua M 2003 J. Chem. Phys. 119 10088
[29] Aoiz F J, Brouard M, Herrero V J, SaezRabanos V, Stark K 1997 Chem. Phys. Lett. 264 487
[30] Wang M L, Han K L, He G Z 1998 J. Chem. Phys. 109 5446
[31] Chen M D, Han K L, Lou N Q 2002 Chem. Phys. Lett. 357 483
[32] Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 4463
[33] Ma J J, Chen M D, Cong S L, Han K L 2006 Chem. Phys. 327 529
[34] Brouard M, Lambert H M, Rayner S P, Simons J P 1996 Mol. Phys. 89 403
[35] Li W L, Wang M S, Yang C L , Liu W W, Sun C, Ren T Q 2007 Chem. Phys. 337 93
[36] Aoiz F J, Brouard M, Enriquez P A 1996 J. Chem. Phys. 105 4964
[37] Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699
[38] Zhang X, Han K L 2006Int. Quantum Chem. 106 1815
[39] Chu T S, Zhang Y, Han K L 2006 Int. Rev. Phys. Chem. 25 201
[40] Han K L, He G Z, Lou N Q 1989 Chin. J. Chem. Phys. 2 323
[41] Li R J, Han K L, Li F E, Lu R C, He G Z, Lou N Q 1994 Chem. Phys. Lett. 220 281
[42] Wang M L, Han K L, He G Z 1998 J. Phys. Chem. A 102 10204
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[1] Xu W W, Liu X G, Luan S X, Sun S S, Zhang Q G 2009 Chin. Phys. B 18 339
[2] Liu X G, Sun H Z, Liu H R, Zhang Q G 2010 Acta Phys. Sin. 59 779 (in Chinese) [刘新国, 孙海竹, 刘会荣, 张庆刚 2010 物理学报 59 779]
[3] Xiao J, Yang C L, Wang M S 2012 Chin. Phys. B 21 043101
[4] Liu Y F, He X H, Shi D H, Sun J F 2011 Chin. Phys. B 20 078201
[5] Xu W W, Liu X G, Luan S X, Zhang Q G 2009 Chem. Phys. 355 21
[6] Kong H, Liu X G, Xu W W, Liang J J, Zhang Q G 2009 Acta Phys. Sin. 58 6926 (in Chinese) [孔浩, 刘新国, 许文武, 梁景娟, 张庆刚 2009 物理学报 58 6926]
[7] Zhang W Q, Cong S L, Zhang C H, Xu X S, Chen M D 2009 J. Phys. Chem. A 113 4192
[8] Zhang W Q, Li Y Z, Xu X S, Chen M D 2010 Chem. Phys. 367 115
[9] Duan L H, Zhang W Q, Xu X S, Cong S L, Chen M D 2009 Mol. Phys. 107 2579
[10] Zhang C H, Zhang W Q, Chen M D 2009 J. Theor. Comput. Chem. 8 403
[11] Hobel O, Paladini A, Russo A, Bobbenkamp R, Loesch H J 2004 Phys. Chem. Chem. Phys. 6 2198
[12] Herschbach D R 1996 Adv. Chem. Phys. 10 319
[13] Odiorne T J, Brooks P R, Kasper J V V 1971 J. Chem. Phys. 55 1980
[14] Pruett J G, Zare R N 1976 J. Chem. Phys. 64 1774
[15] Karny Z, Estler R C, Zare R N 1978 J. Chem. Phys. 69 5199
[16] Karny Z , Zare R N 1978 J. Chem. Phys. 68 3360
[17] Bartoszek F E, Blackwell B A, Polanyi J C, Sloan J J 1981 J. Chem. Phys. 74 3400
[18] Zhang R, Rakestraw D J, McKendrick K G, Zare R N 1988 J. Chem. Phys. 89 6283
[19] Hoffmeister M, Schleysing R, Stienkemeier F, Loesch H J 1989 J. Chem. Phys. 90 3528
[20] Aguado A, Paniagua M 1992 J. Chem. Phys. 96 1265
[21] Suarez C, Aguado A, Tablero C, Paniagua M 1994 Int. J. Quantum Chem. 52 935
[22] Becker C H, Casavecchia P, Tiedemann P W, Valentini J J, Lee Y T 1980 J. Chem. Phys. 73 2833
[23] Aguado A, Sufirez C, Paniagua M 1995 Chem. Phys. 201 107
[24] Aguado A, Paniagua M 1997 J. Chem. Phys. 106 1013
[25] Yuan M H Zhao G J 2010 Int J Quantum Chem 110 1842
[26] Wang T Yue X F 2011 Chin. Phys. Lett. 28 023101
[27] Jasper A W, Hack M D, Truhlar D G 2002 J. Chem. Phys. 116 8353
[28] Aguado A, Paniagua M 2003 J. Chem. Phys. 119 10088
[29] Aoiz F J, Brouard M, Herrero V J, SaezRabanos V, Stark K 1997 Chem. Phys. Lett. 264 487
[30] Wang M L, Han K L, He G Z 1998 J. Chem. Phys. 109 5446
[31] Chen M D, Han K L, Lou N Q 2002 Chem. Phys. Lett. 357 483
[32] Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 4463
[33] Ma J J, Chen M D, Cong S L, Han K L 2006 Chem. Phys. 327 529
[34] Brouard M, Lambert H M, Rayner S P, Simons J P 1996 Mol. Phys. 89 403
[35] Li W L, Wang M S, Yang C L , Liu W W, Sun C, Ren T Q 2007 Chem. Phys. 337 93
[36] Aoiz F J, Brouard M, Enriquez P A 1996 J. Chem. Phys. 105 4964
[37] Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699
[38] Zhang X, Han K L 2006Int. Quantum Chem. 106 1815
[39] Chu T S, Zhang Y, Han K L 2006 Int. Rev. Phys. Chem. 25 201
[40] Han K L, He G Z, Lou N Q 1989 Chin. J. Chem. Phys. 2 323
[41] Li R J, Han K L, Li F E, Lu R C, He G Z, Lou N Q 1994 Chem. Phys. Lett. 220 281
[42] Wang M L, Han K L, He G Z 1998 J. Phys. Chem. A 102 10204
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