基于严格交换势的低能电子与H2分子碰撞振动激发散射截面的研究

李勇军; 冯灏; 孙卫国; 曾阳阳; 王小炼; 李会东; 樊群超

doi:10.7498/aps.60.043401

摘要

严格交换势用于研究低能电子与H2分子的弹性和非弹性散射截面,线性代数方法和R-矩阵传播子相结合求解基于振动密耦合方法的积分-微分耦合方程组,由此得到收敛的(0→0,0→1,0→2)散射微分截面和积分截面.理论计算结果与目前优秀的实验值和其他理论计算值进行了比较,表明基于振动密耦合方程的严格交换势在低能电子与H2分子振动激发散射中有重要作用.

关键词:

Elastic and inelastic differential and integral cross sections for low-energy vibrational excitation of H2 by electron impact are studied with exact exchange. The resulting coupled integrodifferential equations are solved using a combination of linear-algebraic and R-matrix-propagator techniques. The converged (0→0,0→1,0→2) differential and integral cross sections are obtained. The calculated results are in good agreement with experimental resalts and other calculations, showing that the exact exchange based on equations of vibrational close coupling plays an important role in low-energy electron scattering from H2 molecule.

Keywords:

作者及机构信息

(1)四川大学原子与分子物理研究所,成都 610065; (2)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: 四川省科技厅应用基础基金(批准号:2009JY0140)资助的课题.

Authors and contacts

(1)Institution of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China; (2)Research Center for Advanced Computation, School of Physics and Chemistry, Xihua University, Chengdu 610039, China

参考文献

[1]	Massey H S 1969 Electronic and Inoic Impact Phenomena, Vo1.II: Electron Collision with Molecules and Photoionization (Oxford University, London)
[2]	Capitelli M, Celiberto R, Esposito F, Laricchiuta A, Hassouni K, Longo S 2002 Plasma Sources Sci. Technol. 11 A7-A25
[3]	Lieberman M A, Lichtenberg A J 1994 Principles of Plasma Discharges, Materials Processing ed Wiley(New York)
[4]	Lane N F 1980 Rev. Mod. Phys. 52 29
[5]	White R D, Robson R E, Morrison M A, Li B, Ness K F 2007 J. Phys. Conf. 71 012004
[6]	Crompton R W, Morrison M A 1993 Aust. J. Phys. 46 203
[7]	Brunger M J, Buckman S J, Newman D S, Alle D T 1991 J. Phys. B 24 1435
[8]	Shyn T W, Sharp W E 1981 Phys. Rev. A 24 1734
[9]	Jones R K 1985 Phys. Rev. A 31 2898
[10]	Ferch J, Raith W, Schröder K 1980 J. Phys. B 13 1481
[11]	Subramanian, Kumar V 1989 J. Phys. B 22 2387
[12]	Nickel J C, Kanik I, Trajmar S, Imre K 1992 J. Phys. B 25 2427
[13]	Schneider B I, Collins L A 1983 Phys. Rev. A 27 2847
[14]	Horá Acˇ ek J, í Azˇ ek M, Houfek K, Koloren Acˇ P 2006 Phys. Rev. A 73 022701
[15]	Wang B, Feng H, Sun W G, Zeng Y Y, Dai W 2009 Acta Phys. Sin. 58 6932(in Chinese)[王斌、冯灏、孙卫国、曾阳阳、戴维 2009 58 6932]
[16]	Morrison M A, Saha B C 1986 Phys. Rev. A 34 2796
[17]	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
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[19]	Chandra N, Temkin A 1976 Phys. Rev. A 13 188
[20]	Morrison M A, Feldt A N, Austin D 1984 Phys. Rev. A 30 2811
[21]	Mazon K T, Fujiwara R, Lee M T 2001 Phys. Rev. A 64 042705
[22]	Morrison M A, Crompton R W, Saha B C, Petrovic Z L 1987 Aust. J .Phys. 40 239
[23]	Zeng Y Y, Feng H, Sun W G, Wang B 2009 Chin. Phys. Lett. 26 023402
[24]	Wang X L, Feng H, Sun W G, Fan Q C, Zeng Y Y, Wang B 2010 Acta Phys. Sin. 59 0937(in Chinese)[王小炼、冯灏、孙卫国、樊群超、曾阳阳、王斌 2010 59 0937]
[25]	Morrison M A, Trail W K 1993 Phys. Rev. A 48 2874
[26]	Feng H, Sun W, Morrison M A, Feldt A N 2009 J. Phys. B 42 175201
[27]	Zare R N 1988 Angular Momentum: Understanding Spatial Aspects in Chemistry and Physics (Wiley, New York)
[28]	Rose M E 1957 Elementary Theory of Angular Momentum (Wiley, New York)
[29]	Edmonds A R 1968 Angular Momentum in Quantum Mechanics (Princeton Univer. Press, Jersey N)
[30]	Collins L A, Schneider B I 1981 Phys. Rev. A 24 2387
[31]	Schneider B I, Collins L A 1982 J. Phys. B 15 L335
[32]	Schneider B I, Collins L A 1983 Phys. Rev. A 27 2847
[33]	Schneider B I, Collins L A 1984 Phys. Rev. A 30 95
[34]	Schneider B I, Walker R B 1978 J. Chem. Phys. 70 2466
[35]	Schneider B I, Taylor H S 1982 J. Chem .Phys. 77 379
[36]	Simons G, Parr R G, Finlan M J 1973 J. Chem. Phys. 59 3229
[37]	Trail W K, Morrison M A, Isaacs W A, Saha B 1990 Phys. Rev. A 41 4868
[38]	Dai W, Feng H, Sun W G, Tang Y J, Shen L, Yu J Z 2008 Acta Phys. Sin. 57 144 (in Chinese)[戴伟、冯灏、孙卫国、唐永健、申立、于江周 2008 57 144]
[39]	Linder F, Schmidt H 1971 Z. Naturforsch. 26A 1603
[40]	Wong S F, Schulz G J 1974 Phys. Rev. Lett. 32 1089
[41]	Yoon J S, Song M Y, Han M J, Hwang S H, Chang W S, Lee B J, Itikawa Y 2008 J. Phys. Chem. Ref. Data 37 913
[42]	Ehrhardt H, Langhans L, Linder F, Taylor H S 1968 Phys. Rev. 173 222
[43]	England J P, Elford M T, Crompton R W 1988 Aust. J. Phys. 41 573
[44]	Buckman S J, Brunger M J 1997 Aust. J. Phys. 50 483
[45]	Crompton R W, Morrison M A 1993 Aust. J. Phys. 46 203
[46]	Allan M 1985 J. Phys. B 18 L451

施引文献

[1]	Massey H S 1969 Electronic and Inoic Impact Phenomena, Vo1.II: Electron Collision with Molecules and Photoionization (Oxford University, London)
[2]	Capitelli M, Celiberto R, Esposito F, Laricchiuta A, Hassouni K, Longo S 2002 Plasma Sources Sci. Technol. 11 A7-A25
[3]	Lieberman M A, Lichtenberg A J 1994 Principles of Plasma Discharges, Materials Processing ed Wiley(New York)
[4]	Lane N F 1980 Rev. Mod. Phys. 52 29
[5]	White R D, Robson R E, Morrison M A, Li B, Ness K F 2007 J. Phys. Conf. 71 012004
[6]	Crompton R W, Morrison M A 1993 Aust. J. Phys. 46 203
[7]	Brunger M J, Buckman S J, Newman D S, Alle D T 1991 J. Phys. B 24 1435
[8]	Shyn T W, Sharp W E 1981 Phys. Rev. A 24 1734
[9]	Jones R K 1985 Phys. Rev. A 31 2898
[10]	Ferch J, Raith W, Schröder K 1980 J. Phys. B 13 1481
[11]	Subramanian, Kumar V 1989 J. Phys. B 22 2387
[12]	Nickel J C, Kanik I, Trajmar S, Imre K 1992 J. Phys. B 25 2427
[13]	Schneider B I, Collins L A 1983 Phys. Rev. A 27 2847
[14]	Horá Acˇ ek J, í Azˇ ek M, Houfek K, Koloren Acˇ P 2006 Phys. Rev. A 73 022701
[15]	Wang B, Feng H, Sun W G, Zeng Y Y, Dai W 2009 Acta Phys. Sin. 58 6932(in Chinese)[王斌、冯灏、孙卫国、曾阳阳、戴维 2009 58 6932]
[16]	Morrison M A, Saha B C 1986 Phys. Rev. A 34 2796
[17]	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
[18]	Morrison M A, Sun W 1995 Computational Methods for Electron-Molecule Collisions ed Huo W, Gianturco F A (New York: Plenum) chapter 6, pp 131—90
[19]	Chandra N, Temkin A 1976 Phys. Rev. A 13 188
[20]	Morrison M A, Feldt A N, Austin D 1984 Phys. Rev. A 30 2811
[21]	Mazon K T, Fujiwara R, Lee M T 2001 Phys. Rev. A 64 042705
[22]	Morrison M A, Crompton R W, Saha B C, Petrovic Z L 1987 Aust. J .Phys. 40 239
[23]	Zeng Y Y, Feng H, Sun W G, Wang B 2009 Chin. Phys. Lett. 26 023402
[24]	Wang X L, Feng H, Sun W G, Fan Q C, Zeng Y Y, Wang B 2010 Acta Phys. Sin. 59 0937(in Chinese)[王小炼、冯灏、孙卫国、樊群超、曾阳阳、王斌 2010 59 0937]
[25]	Morrison M A, Trail W K 1993 Phys. Rev. A 48 2874
[26]	Feng H, Sun W, Morrison M A, Feldt A N 2009 J. Phys. B 42 175201
[27]	Zare R N 1988 Angular Momentum: Understanding Spatial Aspects in Chemistry and Physics (Wiley, New York)
[28]	Rose M E 1957 Elementary Theory of Angular Momentum (Wiley, New York)
[29]	Edmonds A R 1968 Angular Momentum in Quantum Mechanics (Princeton Univer. Press, Jersey N)
[30]	Collins L A, Schneider B I 1981 Phys. Rev. A 24 2387
[31]	Schneider B I, Collins L A 1982 J. Phys. B 15 L335
[32]	Schneider B I, Collins L A 1983 Phys. Rev. A 27 2847
[33]	Schneider B I, Collins L A 1984 Phys. Rev. A 30 95
[34]	Schneider B I, Walker R B 1978 J. Chem. Phys. 70 2466
[35]	Schneider B I, Taylor H S 1982 J. Chem .Phys. 77 379
[36]	Simons G, Parr R G, Finlan M J 1973 J. Chem. Phys. 59 3229
[37]	Trail W K, Morrison M A, Isaacs W A, Saha B 1990 Phys. Rev. A 41 4868
[38]	Dai W, Feng H, Sun W G, Tang Y J, Shen L, Yu J Z 2008 Acta Phys. Sin. 57 144 (in Chinese)[戴伟、冯灏、孙卫国、唐永健、申立、于江周 2008 57 144]
[39]	Linder F, Schmidt H 1971 Z. Naturforsch. 26A 1603
[40]	Wong S F, Schulz G J 1974 Phys. Rev. Lett. 32 1089
[41]	Yoon J S, Song M Y, Han M J, Hwang S H, Chang W S, Lee B J, Itikawa Y 2008 J. Phys. Chem. Ref. Data 37 913
[42]	Ehrhardt H, Langhans L, Linder F, Taylor H S 1968 Phys. Rev. 173 222
[43]	England J P, Elford M T, Crompton R W 1988 Aust. J. Phys. 41 573
[44]	Buckman S J, Brunger M J 1997 Aust. J. Phys. 50 483
[45]	Crompton R W, Morrison M A 1993 Aust. J. Phys. 46 203
[46]	Allan M 1985 J. Phys. B 18 L451

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