-
The dynamics for the collision of BH with He is investigated based on the CCSD(T) potential energy surface. State-to-state differential, partial and integral cross sections are calculated for the first time. The effects of the long-range attractive and the short-range anisotropic interactions on inelastic scattering dynamics are also discussed in detail. As a result, the nearly-linear collision of He atom from H atom side with the BH molecules is the most effective manner for j=0→j'=1.Furthermore, it is of advantage for the Δj=1 transition at lower energy and for the Δj=2 transition at higher energy. The state-to-state integral cross section displays a pronounced oscillatory structure. The long-range partial cross section has only an effect on the integral cross section for j=0→j'=1, and the cross sections for j'≥3 are almost determined by the anisotropic short-rang partial.
-
Keywords:
- He-BH complex /
- rotational excitation /
- cross section
[1] Szalewica K, Cole S, Kolos W, Bartlett R J 1998 J. Chem. Phys. 89 3662
[2] Berriche H, Tlili C 2004 J. Mol. Struc. (Theochem) 678 11
[3] Berriche H 2004 J.Mol. Structure(Theochem) 682 89
[4] Balakrishnan N,Forrey,R C ,Dalgarno 1998 Phys. Rev. Lett. 80 3224
[5] Yang X D, Zhou X L,Zhang J Y 2002 Chinese Phys.11 1013
[6] Maiti B, Kalyanaraman C, Panda A N, Sathyamurthy N 2002 J. Chem. Phys.117 9719
[7] Thomas L D 1977 J. Chem.Phys. 67 5224
[8] Bodo E, Gianturco F A, Sebastianelli1 F, Yurtsever E, Theor Y M 2004 Chem. Acc. 112 263
[9] Hwang E, Dagdigian P J 1994 J. Chem. Phys.101 2903
[10] Alexander M H, Gregurick S, Dagdigian P J 1994 J. Chem. Phys. 101 2887
[11] Balakrishnan N,Forrey R C, Dalgarno 1998 Phys. Rev. Lett. 80 3224
[12] Yang X D, Zhou X L,Zhang J Y 2002 Chinese Phys.11 1013
[13] Maiti B, Kalyanaraman C, Panda A N, Sathyamurthy N 2002 J. Chem. Phys. 117 9719
[14] Thomas L D 1977 J. Chem.Phys. 67 5224
[15] Wang Z Q, Gong M Y, Feng E Y, Cui Z F 2007 Chem. Phys. Lett. 443 237
[16] Gong M Y, Hu X L, Chen X, Niu M, Feng E Y 2010 Chin.Phys. B 19 6 063401
[17] Wang R K, Shen G X, Yang X D 2009 Acta Phy. Sin. 58 5335(in Chinese) [汪荣凯、沈光先、杨向东 2009 物理学报 58 5335]
[18] Feng E Y, Huang W Y, Cui Z F, Zhang W 2004 J. Chem. Phys. 303 309
[19] Yu C R, Feng E Y, Wang R K, Yang X D 2006 Chin. Phys. 15 2571
-
[1] Szalewica K, Cole S, Kolos W, Bartlett R J 1998 J. Chem. Phys. 89 3662
[2] Berriche H, Tlili C 2004 J. Mol. Struc. (Theochem) 678 11
[3] Berriche H 2004 J.Mol. Structure(Theochem) 682 89
[4] Balakrishnan N,Forrey,R C ,Dalgarno 1998 Phys. Rev. Lett. 80 3224
[5] Yang X D, Zhou X L,Zhang J Y 2002 Chinese Phys.11 1013
[6] Maiti B, Kalyanaraman C, Panda A N, Sathyamurthy N 2002 J. Chem. Phys.117 9719
[7] Thomas L D 1977 J. Chem.Phys. 67 5224
[8] Bodo E, Gianturco F A, Sebastianelli1 F, Yurtsever E, Theor Y M 2004 Chem. Acc. 112 263
[9] Hwang E, Dagdigian P J 1994 J. Chem. Phys.101 2903
[10] Alexander M H, Gregurick S, Dagdigian P J 1994 J. Chem. Phys. 101 2887
[11] Balakrishnan N,Forrey R C, Dalgarno 1998 Phys. Rev. Lett. 80 3224
[12] Yang X D, Zhou X L,Zhang J Y 2002 Chinese Phys.11 1013
[13] Maiti B, Kalyanaraman C, Panda A N, Sathyamurthy N 2002 J. Chem. Phys. 117 9719
[14] Thomas L D 1977 J. Chem.Phys. 67 5224
[15] Wang Z Q, Gong M Y, Feng E Y, Cui Z F 2007 Chem. Phys. Lett. 443 237
[16] Gong M Y, Hu X L, Chen X, Niu M, Feng E Y 2010 Chin.Phys. B 19 6 063401
[17] Wang R K, Shen G X, Yang X D 2009 Acta Phy. Sin. 58 5335(in Chinese) [汪荣凯、沈光先、杨向东 2009 物理学报 58 5335]
[18] Feng E Y, Huang W Y, Cui Z F, Zhang W 2004 J. Chem. Phys. 303 309
[19] Yu C R, Feng E Y, Wang R K, Yang X D 2006 Chin. Phys. 15 2571
计量
- 文章访问数: 8403
- PDF下载量: 511
- 被引次数: 0
下载:
