运用球高斯分布极化势研究低能电子与H2 分子碰撞的振动激发动量迁移散射截面

王小炼; 冯灏; 孙卫国; 樊群超; 王斌; 曾阳阳

doi:10.7498/aps.60.023401

摘要

用最近改进的球高斯分布(distributed spherical Gaussian,DSG)极化势模型,在振动密耦合框架下和基于量子力学从头计算的静电势、交换势的基础上,研究了低能电子与H2分子碰撞振动激发的动量迁移散射截面(momentum transfer cross section,MTCS).通过包含18个振动波函数、5个分波和16个分子对称性,得到了0E≤10 eV时收敛性很好的ν=0→ν'=0,1,2,3等几个振动跃迁通道和总的MTCS,并与其他实验和理论得到的值进行了比较和分析.

关键词:

Abstract

Based on the distributed spherical Gaussian (DSG) polarization potential model, the momentum transfer cross sections (MTCSs) of low-energy electron scattering from H2 molecule are studied with the body frame vibrational close coupling (BFVCC) method and vibrational scattering potentials. The vibrational scattering potentials include the static, exchange, and correlation-polarization contributions calculated based on ab initio method. By including the contributions of 18 Morse vibrational wave functions, 5 partial waves, and 16 molecular symmetries, We obtained well converging MTCSs of ν=0→ν'=0, 1, 2, 3 transition excitations. The comparisons show that DSG polarization potential is a good approximation in the study of low energy electron scattering.

Keywords:

H2molecular scattering /
momentum transfer cross section /
vibrational excitation /
distributed spherical Gaussian polarization potential

作者及机构信息

(1)四川大学材料科学与工程学院,成都 610065; (2)四川大学原子与分子物理研究所,成都 610065; (3)四川大学原子与分子物理研究所,成都 610065;四川大学材料科学与工程学院,成都 610065; (4)四川大学原子与分子物理研究所,成都 610065;四川大学原子与分子物理研究所,成都 610065; (5)西华大学物理与化学学院,先进计算研究中心,成都 610039

基金项目: 国家自然科学基金(批准号:10504022,10774105)资助的课题.

Authors and contacts

(1)College of Materials Science and Engineering, Sichuan University, Chengdu 610065, China; (2)Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China; (3)Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;College of Materials Science and Engineering, Sichuan University, Chengdu 610065, China; (4)Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;Institute of Atomic and Molecular Physics, Sichuan Uni

参考文献

[1]	Buckman S J, Brunger M J 1997 Aust. J. Phys. 50 483
[2]	Frost L S, Phelps A V 1962 Phys. Rev. 127 1621
[3]	Crompton R W, Gibson D K, McIntosh A I 1969 Aust. J. Phys. 22 715
[4]	Gibson D K 1970 Aust. J. Phys. 23 683
[5]	Hayashi M 1987 Swarm Studies and Inelastic Electron-Molecule Collisions (New York: Springer) p167
[6]	England J P, Elford M T, Crompton R W 1988 Aust. J. Phys. 41 573
[7]	Schmidt B, Berkhan K, Gtz B, Mller M 1994 Phys. Scr. 53 30
[8]	Srivastava S K, Chutjian A, Trajmar S 1975 J. Chem. Phys. 63 2659
[9]	Shyn T W, Sharp W E 1981 Phys. Rev. A 24 1734
[10]	Nishimura H, Danjo A, Sugahara H 1985 J. Phys. Soc. Jpn 54 1757
[11]	Khakoo M A, Trajmar S 1986 Phys. Rev. A 34 138
[12]	Brunger J, Buckman S J, Newman D S, Alle D T 1991 J. Phys. B 24 1435
[13]	Morrison M A, Crompton R W, Saha B C, Petrovi Dc＇ Z L 1987 Aust. J. Phys. 40 239
[14]	Elford M T, Buckman S J, Brunger M J 2003 Photon and Electron Interactions with Atoms, Molecules and Ions (Group I, Vol. 17)(New York: Springer)
[15]	Morrison M A, Trail W K 1993 Rhys. Rev. A 48 2874
[16]	Morrison M A, Saha B C 1986 Phys. Rev. A 34 2786
[17]	Morrison M A, Feldt A N, Saha B C 1984 Phys. Rev. A 30 2811
[18]	Shah M B, Gilbody H B 1990 J. Phys. B 23 491
[19]	Feng H, Sun W G, Morrison M A, Feldt A N 2009 J. Phys. B 105 2289
[20]	Bouferguene A, Ema I, Weatherford C A 1999 Phys. Rev. A 59 2712
[21]	Feng H, Sun W G, Morrison M A 2003 Phys. Rev. A 68 062709
[22]	Morrison M A, Sun W G 1995 How to Calculate Rotational and Vibrational Cross Sections for Low-Energy Electron Scattering from Diatomic Molecules Using Close-Coupling Techniques, in Computational Methods of Electron-Molecule Collisions (New York: Plenum) Chap. 6
[23]	Burke P G, Chandra N 1972 J.Phys. B 5 1696
[24]	Sun W G, Morrison M A, Isaacs W A, Trail W K, Alle D T, Gulley R J, Brennan M J, Buckman S J 1995 Phys. Rev. A 52 1229
[25]	Brunger M J, Buckman S J 2002 Phys. Rep. 357 215
[26]	Morrison M A 1983 Aust. J. Phys. 36 239
[27]	Hu S D, Sun W G, Ren W Y, Feng H 2006 Acta Phys. Sin. 55 2186 (in Chinese) [胡士德、孙卫国、任维义、冯灏 2006 物理学报 55 2186]
[28]	Dai W, Feng H, Sun W G, Tang Y J, Shen L, Yun J Z 2008 Acta Phys. Sin. 57 144 (in Chinese) [戴伟、冯灏、孙卫国、唐永建、申立、于江舟 2008 物理学报 57 144]

施引文献

[1]	Buckman S J, Brunger M J 1997 Aust. J. Phys. 50 483
[2]	Frost L S, Phelps A V 1962 Phys. Rev. 127 1621
[3]	Crompton R W, Gibson D K, McIntosh A I 1969 Aust. J. Phys. 22 715
[4]	Gibson D K 1970 Aust. J. Phys. 23 683
[5]	Hayashi M 1987 Swarm Studies and Inelastic Electron-Molecule Collisions (New York: Springer) p167
[6]	England J P, Elford M T, Crompton R W 1988 Aust. J. Phys. 41 573
[7]	Schmidt B, Berkhan K, Gtz B, Mller M 1994 Phys. Scr. 53 30
[8]	Srivastava S K, Chutjian A, Trajmar S 1975 J. Chem. Phys. 63 2659
[9]	Shyn T W, Sharp W E 1981 Phys. Rev. A 24 1734
[10]	Nishimura H, Danjo A, Sugahara H 1985 J. Phys. Soc. Jpn 54 1757
[11]	Khakoo M A, Trajmar S 1986 Phys. Rev. A 34 138
[12]	Brunger J, Buckman S J, Newman D S, Alle D T 1991 J. Phys. B 24 1435
[13]	Morrison M A, Crompton R W, Saha B C, Petrovi Dc＇ Z L 1987 Aust. J. Phys. 40 239
[14]	Elford M T, Buckman S J, Brunger M J 2003 Photon and Electron Interactions with Atoms, Molecules and Ions (Group I, Vol. 17)(New York: Springer)
[15]	Morrison M A, Trail W K 1993 Rhys. Rev. A 48 2874
[16]	Morrison M A, Saha B C 1986 Phys. Rev. A 34 2786
[17]	Morrison M A, Feldt A N, Saha B C 1984 Phys. Rev. A 30 2811
[18]	Shah M B, Gilbody H B 1990 J. Phys. B 23 491
[19]	Feng H, Sun W G, Morrison M A, Feldt A N 2009 J. Phys. B 105 2289
[20]	Bouferguene A, Ema I, Weatherford C A 1999 Phys. Rev. A 59 2712
[21]	Feng H, Sun W G, Morrison M A 2003 Phys. Rev. A 68 062709
[22]	Morrison M A, Sun W G 1995 How to Calculate Rotational and Vibrational Cross Sections for Low-Energy Electron Scattering from Diatomic Molecules Using Close-Coupling Techniques, in Computational Methods of Electron-Molecule Collisions (New York: Plenum) Chap. 6
[23]	Burke P G, Chandra N 1972 J.Phys. B 5 1696
[24]	Sun W G, Morrison M A, Isaacs W A, Trail W K, Alle D T, Gulley R J, Brennan M J, Buckman S J 1995 Phys. Rev. A 52 1229
[25]	Brunger M J, Buckman S J 2002 Phys. Rep. 357 215
[26]	Morrison M A 1983 Aust. J. Phys. 36 239
[27]	Hu S D, Sun W G, Ren W Y, Feng H 2006 Acta Phys. Sin. 55 2186 (in Chinese) [胡士德、孙卫国、任维义、冯灏 2006 物理学报 55 2186]
[28]	Dai W, Feng H, Sun W G, Tang Y J, Shen L, Yun J Z 2008 Acta Phys. Sin. 57 144 (in Chinese) [戴伟、冯灏、孙卫国、唐永建、申立、于江舟 2008 物理学报 57 144]

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