-
The interaction potential surfaces of He-HD (HT, DT) are calculated by employing ab initio method at the CCSD(T)/AUG-CC-PV5Z +bf(3s3p2d1f) calculational level when the key-lengths of target-molecule are different. The vib-rotational interaction potentials of He-HD (HT, DT) system are fitted using the method of center of mass transformation-fitting, the Tang-Toennies potential function and nonlinear least square method at the incident angles of 0°, 20°, 40°, 60°, 80°, 90°, 100°, 120°, 140°, 160° and 180°. The differential coefficient cross sections at the energies of 60, 90 and 120 meV are calculated by using the quantum close-coupling method. On the basis of the above result, the change rules of the differential coefficient cross section with incident energy, reduced mass of system and scattering angle are discussed.
-
Keywords:
- Tang-Toennies potential function /
- method of center of mass transformation-fitting /
- differential coefficient cross sections /
- scatterimg angle
[1] Ovchinnikova M Y 1985 Chem. Phys. 93 101
[2] Smith M J, Rabitz H 1991 Chem. Phys. 150 361
[3] Qi R, Yu X L, Li Z B, Liu W M 2009 Phys. Rev. Lett. 102 185301
[4] Ji A C, Liu W M, Song J L, Zhou F 2008 Phys. Rev. Lett. 101 010402
[5] Liang Z X, Zhang Z D, Liu W M 2005 Phys. Rev. Lett. 94 050402
[6] Yang X D 1990 Science in China A 8 833 (in Chinese) [杨向东 1990 中国科学(A辑) 8 833]
[7] Yang X D, Zhang J Y, Jing F Q 1998 Chin. Phys. Lett. 15 19
[8] Yang C L, Zhu Z H 1999 Acta Phys. Sin. 48 1852 (in Chinese) [杨传路, 朱正和 1999 48 1852]
[9] 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]
[10] Shen G X, Wang R K, Linghu R F, Yang X D 2011 Acta Phys. Sin. 60 013101 (in Chinese) [沈光先, 汪荣凯, 令狐荣锋, 杨向东 2011 60 013101]
[11] Tang K T, Toennies J P 1981 J. Chem. Phys. 74 1148
[12] Yang X D, Zhou X L, Zhang J Y, Sun G H, Zhu J 2002 Chin. Phys. 11 1013
[13] Shen G X, Linghu R F, Wang R K, Yang X D 2007 Chin. Phys. 16 3352
[14] 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]
[15] 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]
[16] 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]
[17] 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]
[18] 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]
[19] Yang X D 1992 A Theoretical Calculation and Program of Collisions between Atom and Molecule (Chengdu: Publishing Company of Electron Science and Technology University) [杨向东 1992 原子与分子碰撞理论计算及程序(成都: 电子科技大学出版社)]
[20] Kreek H, Le Roy R J 1975 J. Chem. Phys. 63 338
[21] Liu W K, Grabenstetter J E, Le Roy R J, McCourt F R 1978 J. Chem. Phys. 68 5028
[22] Tang K T, Toennies J P 1978 J. Chem. Phys. 68 5501
[23] Tang K T, Toennies J P 1981 J. Chem. Phys. 74 1148
[24] Bernstein R B 1979 Atom-Molecule Collision Theory: A Guide for the Experimentalist (New York: A Division of Plenum Publishing Corporation)
-
[1] Ovchinnikova M Y 1985 Chem. Phys. 93 101
[2] Smith M J, Rabitz H 1991 Chem. Phys. 150 361
[3] Qi R, Yu X L, Li Z B, Liu W M 2009 Phys. Rev. Lett. 102 185301
[4] Ji A C, Liu W M, Song J L, Zhou F 2008 Phys. Rev. Lett. 101 010402
[5] Liang Z X, Zhang Z D, Liu W M 2005 Phys. Rev. Lett. 94 050402
[6] Yang X D 1990 Science in China A 8 833 (in Chinese) [杨向东 1990 中国科学(A辑) 8 833]
[7] Yang X D, Zhang J Y, Jing F Q 1998 Chin. Phys. Lett. 15 19
[8] Yang C L, Zhu Z H 1999 Acta Phys. Sin. 48 1852 (in Chinese) [杨传路, 朱正和 1999 48 1852]
[9] 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]
[10] Shen G X, Wang R K, Linghu R F, Yang X D 2011 Acta Phys. Sin. 60 013101 (in Chinese) [沈光先, 汪荣凯, 令狐荣锋, 杨向东 2011 60 013101]
[11] Tang K T, Toennies J P 1981 J. Chem. Phys. 74 1148
[12] Yang X D, Zhou X L, Zhang J Y, Sun G H, Zhu J 2002 Chin. Phys. 11 1013
[13] Shen G X, Linghu R F, Wang R K, Yang X D 2007 Chin. Phys. 16 3352
[14] 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]
[15] 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]
[16] 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]
[17] 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]
[18] 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]
[19] Yang X D 1992 A Theoretical Calculation and Program of Collisions between Atom and Molecule (Chengdu: Publishing Company of Electron Science and Technology University) [杨向东 1992 原子与分子碰撞理论计算及程序(成都: 电子科技大学出版社)]
[20] Kreek H, Le Roy R J 1975 J. Chem. Phys. 63 338
[21] Liu W K, Grabenstetter J E, Le Roy R J, McCourt F R 1978 J. Chem. Phys. 68 5028
[22] Tang K T, Toennies J P 1978 J. Chem. Phys. 68 5501
[23] Tang K T, Toennies J P 1981 J. Chem. Phys. 74 1148
[24] Bernstein R B 1979 Atom-Molecule Collision Theory: A Guide for the Experimentalist (New York: A Division of Plenum Publishing Corporation)
Catalog
Metrics
- Abstract views: 9390
- PDF Downloads: 591
- Cited By: 0
下载:
