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The interaction potential surfaces of He-H2(D2, T2)have been calculated by employing supermolecule method and the single and double excitation coupled-cluster with a noniterative perturbation treatment of triple excitation CCSD(T) approach using a large basis set containing the atomic centre Gaussian function and the 3s3p2d1f key function when the key-lengths of H2 was different. The vib-rotational interaction potentials of He-H2(D2, T2)system were fitted using the Tang-Toennies potential function and nonlinear least square method in a center of mass coordinate system. The partial wave cross sections at the energies of 60,90 and 120 meV have been calculated by using the quantum close-coupling method. On the basis of the above results, the change rules of the partial wave cross sections with change of quantum number have been obtained. Furthermore, corresponding connection and scattering characteristics of partial wave cross sections and scattering parameter were discussed in combination with classical collision theory.
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Keywords:
- Gaussian key function /
- Tang-Toennies potential function /
- partial wave cross section /
- scatterimg parameter
[1] Yang X D 1990 Science in China(Series A) 8 833 (in Chinese)[杨向东 1990 中国科学(A辑) 8 833]
[2] Yang X D, Zhang J Y, Jing F Q 1998 Chinese Phys. Lett.1 14
[3] Yang C L, Zhu Z H 1999 Acta Phys. Sin. 48 1852 (in Chinese)[杨传路、朱正和 1999 48 1852]
[4] Jiang G, Xie H P, Tan M L, Zhu Z H 2000 Acta Phys. Sin. 49 665 (in Chinese)[蒋 刚、谢洪平、谭明亮、朱正和 2000 49 665]
[5] Yu C R, Huang S Z, Feng E Y, Wang R K, Cheng X L, Yang X D 2006 Acta Phys. Sin. 55 2215 (in Chinese) [余春日、黄时中、凤尔银、汪荣凯、程新路、杨向东 2006 55 2215]
[6] Tang K T,Toennies J P 1981 J. Chem. Phys. 74 1148
[7] Yang X D,Zhou X L,Zhang J Y,Sun G H,Zhu J 2002 Chin. Phys.11 1013
[8] Shen G X, Linghu R F, Wang R K, Yang X D 2007 Chin. Phys. 16 3352
[9] Shen G X, Wang R K, Linghu R F, Yang X D 2008 Acta Phys. Sin. 57 155 (in Chinese)[沈光先、汪荣凯、令狐荣锋、杨向东 2008 57 155]
[10] Shen G X, Wang R K, Linghu R F, Yang X D 2008 Acta Phys. Sin. 57 3452 (in Chinese)[沈光先、汪荣凯、令狐荣锋、杨向东 2008 57 3452]
[11] Shen G X, Wang R K, Linghu R F, Yang X D 2009 Acta Phys. Sin. 58 3827 (in Chinese)[沈光先、汪荣凯、令狐荣锋、杨向东 2009 58 3827]
[12] Wang R K, Shen G X, Song X S, Linghu R F, Yang X D 2008 Acta Phys. Sin. 57 4138 (in Chinese)[汪荣凯、沈光先、宋晓书、令狐荣锋、杨向东 2008 57 4138]
[13] Wang R K, Shen G X, Yu C R, Yang X D 2008 Acta Phys. Sin. 57 6932 (in Chinese)[汪荣凯、沈光先、余春日、杨向东 2008 57 6932]
[14] Yang X D 1992 A Theoretical calculation and program of Collisions between atom and molecule (Publishing Company of electron science and technology university) (in Chinese) [杨向东 1992 原子与分子碰撞理论计算及程序(电子科技大学出版社)]
[15] Tang K T,Toennies J P 1978 J. Chem. Phys. 68 5501
[16] Tang K T,Toennies J P 1981 J. Chem. Phys. 74 1148
[17] Dunker A M,Gordon R G 1978 J. Chem. Phys. 68 700
[18] Shafter R,Gorden R G 1973 J. Chem. Phys. 58 5422
[19] Raich J C,Gillis N S 1978 J.Chem. Phys. 66 846229
[20] Foster K R,Rugheimer J H 1972 J.Chem. Phys. 56 2632
[21] Bransden B H 1983 Atomic Collisions Theory (Benjamin:Cummings Publishing Company)
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[1] Yang X D 1990 Science in China(Series A) 8 833 (in Chinese)[杨向东 1990 中国科学(A辑) 8 833]
[2] Yang X D, Zhang J Y, Jing F Q 1998 Chinese Phys. Lett.1 14
[3] Yang C L, Zhu Z H 1999 Acta Phys. Sin. 48 1852 (in Chinese)[杨传路、朱正和 1999 48 1852]
[4] Jiang G, Xie H P, Tan M L, Zhu Z H 2000 Acta Phys. Sin. 49 665 (in Chinese)[蒋 刚、谢洪平、谭明亮、朱正和 2000 49 665]
[5] Yu C R, Huang S Z, Feng E Y, Wang R K, Cheng X L, Yang X D 2006 Acta Phys. Sin. 55 2215 (in Chinese) [余春日、黄时中、凤尔银、汪荣凯、程新路、杨向东 2006 55 2215]
[6] Tang K T,Toennies J P 1981 J. Chem. Phys. 74 1148
[7] Yang X D,Zhou X L,Zhang J Y,Sun G H,Zhu J 2002 Chin. Phys.11 1013
[8] Shen G X, Linghu R F, Wang R K, Yang X D 2007 Chin. Phys. 16 3352
[9] Shen G X, Wang R K, Linghu R F, Yang X D 2008 Acta Phys. Sin. 57 155 (in Chinese)[沈光先、汪荣凯、令狐荣锋、杨向东 2008 57 155]
[10] Shen G X, Wang R K, Linghu R F, Yang X D 2008 Acta Phys. Sin. 57 3452 (in Chinese)[沈光先、汪荣凯、令狐荣锋、杨向东 2008 57 3452]
[11] Shen G X, Wang R K, Linghu R F, Yang X D 2009 Acta Phys. Sin. 58 3827 (in Chinese)[沈光先、汪荣凯、令狐荣锋、杨向东 2009 58 3827]
[12] Wang R K, Shen G X, Song X S, Linghu R F, Yang X D 2008 Acta Phys. Sin. 57 4138 (in Chinese)[汪荣凯、沈光先、宋晓书、令狐荣锋、杨向东 2008 57 4138]
[13] Wang R K, Shen G X, Yu C R, Yang X D 2008 Acta Phys. Sin. 57 6932 (in Chinese)[汪荣凯、沈光先、余春日、杨向东 2008 57 6932]
[14] Yang X D 1992 A Theoretical calculation and program of Collisions between atom and molecule (Publishing Company of electron science and technology university) (in Chinese) [杨向东 1992 原子与分子碰撞理论计算及程序(电子科技大学出版社)]
[15] Tang K T,Toennies J P 1978 J. Chem. Phys. 68 5501
[16] Tang K T,Toennies J P 1981 J. Chem. Phys. 74 1148
[17] Dunker A M,Gordon R G 1978 J. Chem. Phys. 68 700
[18] Shafter R,Gorden R G 1973 J. Chem. Phys. 58 5422
[19] Raich J C,Gillis N S 1978 J.Chem. Phys. 66 846229
[20] Foster K R,Rugheimer J H 1972 J.Chem. Phys. 56 2632
[21] Bransden B H 1983 Atomic Collisions Theory (Benjamin:Cummings Publishing Company)
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