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Efficient Grid Treatment of the Time Dependent Schrödinger Equation for Laser-Driven Molecular Dynamics

Published online by Cambridge University Press:  03 June 2015

Fang Li ,
Xiangying Hao  and
Xiaogang Li
Fang Li*
Affiliation:
Laboratory of Optical Information Technology, School of Science, Wuhan Institute of Technology, Wuhan 430073, China
Xiangying Hao
Affiliation:
Laboratory of Optical Information Technology, School of Science, Wuhan Institute of Technology, Wuhan 430073, China
Xiaogang Li
Affiliation:
Laboratory of Optical Information Technology, School of Science, Wuhan Institute of Technology, Wuhan 430073, China
*
Email:lifang wit@hotmail.com
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Abstract

We present an efficient method to solve the time dependent Schrodinger equation for modeling the dynamics of diatomic molecules irradiated by intense ultrashort laser pulse without Born-Oppenheimer approximation. By introducing a variable prolate spheroidal coordinates and discrete variable representations of the Hamiltonian, we can accurately and efficiently simulate the motion of both electronic and molecular dynamics. The accuracy and convergence of this method are tested by simulating the molecular structure, photon ionization and high harmonic generation of H+2

Keywords

35Q4170H0570F07Time-dependent Schrödinger equation (TDSE)Hydrogen moleculenon-Born-Oppenheimer approximation
Type
Research Article
Information
Communications in Computational Physics , Volume 13 , Issue 5 , May 2013 , pp. 1389 - 1407
Copyright
Copyright © Global Science Press Limited 2013

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References

[1]Mcpherson, A., et al., J. Opt. Soc. B, 4 (1987), 595.CrossRefGoogle Scholar
[2]Ferray, M., et al., J. Phys.B, 21 (1988), L31.Google Scholar
[3]Agostini, P. and Fabre, F., and Mainfray, G., and Petite, G., and Rahman, N., Phys. Rev. Lett., 42 (1979), 1127.Google Scholar
[4]Giusti-Suzor, A. and Mies, F. H., Phys. Rev. Lett., 68 1992, (3869).Google Scholar
[5]Hentschel, M., et al., Nature (London), 414 2001, 509.Google Scholar
[6]Paul, P. M., et al., Science, 292 (2001), 1689.Google Scholar
[7]Uiberacker, M., et al., Nature (London), 466 (2007), 627.CrossRefGoogle Scholar
[8]Swoboda, M., et al., Phys. Rev. Lett., 104 (2010), 103003.CrossRefGoogle Scholar
[9]Bandrauk, A. D. and Chelkowski, S., and Nguyen, H. S., Int. J. Quantum Chem., 100 (2004), 834.Google Scholar
[10]Lan, P. F., et al., Phys. Rev. A, 76 (2007), 043808.Google Scholar
[11]Lan, P. F. and Lu, P. X.,Phys. Rev. A, 77 (2008), 013405.Google Scholar
[12]Hu, S. X., Phys. Rev. A, 83, (2011), 041401(R).CrossRefGoogle Scholar
[13]Hong, W. Y. and Lu, P. X., and Lan, P. F., and Zhang, Q. B., and Wang, X. B., Opt. Express, 17 (2009), 5139.Google Scholar
[14]Corkum, P., Phys. Rev. Lett., 71 (1993), 1994.Google Scholar
[15]Dundas, D. and Meharg, K. J., and McCann, J. F., and Taylor, K. T., Eur. Phys. J. D, 26 (2003), 51.Google Scholar
[16]Lein, M., Phys. Rev. Lett., 94 2005,053004.CrossRefGoogle Scholar
[17]Bandrauk, A.D. and Chelkowski, S., and Kawai, S., and Lu, H., Phys. Rev. Lett., 101 2008, 153901.CrossRefGoogle Scholar
[18]Lan, P. F. and et al., Opt.Express, 16 (2008), 17542.Google Scholar
[19]Zhang, Q. B. and Lu, P. X., and Hong, W. Y., and Liao, Q., and Wang, S. Y., Phys. Rev. A, 80 (2009), 033405.Google Scholar
[20]Qin, M. Y. and Zhu, X. S., and Zhang, Q. B., and Hong, W. Y., and Lu, P. X., Opt. Express, 19 (2011), 25084.CrossRefGoogle Scholar
[21]Lan, P. F. and Lu, P. X., and Cao, W., and Wang, X. L., and Hong, W. Y., Opt. Lett., 32 (2007), 1186.Google Scholar
[22]Peng, L. Y. and McCann, J. F., and Dundas, D., and Taylor, K. T., and Williams, I. D., J. Chem. Phys., 120 (2004), 10046.CrossRefGoogle Scholar
[23]Lein, M. and Marangos, J. P., and Knight, P. L., Phys. Rev. A, 66 (2002), 051404(R).Google Scholar
[24]Zuo, T. and Bandrauk, A. D., and Corkum, P. B., Chem. Phys. Lett., 259 (1996), 313.Google Scholar
[25]Zhu, X. S. and Zhang, Q. B., and Hong, W. Y., and Lu, P. X., and Xu, Z. Z., Opt. Express, 19 (2011), 13722.Google Scholar
[26]Itatani, J.et al., Nature (London), 432 (2004), 867.Google Scholar
[27]Chuang, C., et al. Opt. Express, 19 (2011), 5627.CrossRefGoogle Scholar
[28]Zhu, X. S., et al., Opt. Express, 19 (2011), 436.Google Scholar
[29]Telnov, D. A. and Chu, Sh. I., Phys. Rev. A, 76 (2007), 043412.Google Scholar
[30]Kamta, G. L. and Bandrauk, A. D., Phys. Rev. A, 70 (2004), 011404(R).CrossRefGoogle Scholar
[31]Kjeldsen, T. K. and Nikolopoulos, L. A. A., and Madsen, L. B., Phys. Rev. A, 75 (2007), 063427.Google Scholar
[32]Dundas, D., Phys. Rev. A,65 (2002), 023408.Google Scholar
[33]Kulander, K. C. and Mies, F. H.,and Schafer, K. J., Phys. Rev. A, 53 (1996), 2562.CrossRefGoogle Scholar
[34]Ver Steeg, G. L. and Bartschat, K., and Bray, I., J. Phys. B, 36 (2003), 3325.CrossRefGoogle Scholar
[35]Kawata, I., Kono, H., Fujimura, Y., J Chem. Phys., 110 (1999),11152.Google Scholar
[36]Roudnev, V. and Esry, B. D., and Ben-Itzhak, I., Phys. Rev. Lett., 93 (2004), 163601.CrossRefGoogle Scholar
[37]Chelkowski, S., and Zuo, T., and Atabek, O., and Bandrauk, A. D., Phys. Rev.A, 52 (1996), 2977.CrossRefGoogle Scholar
[38]Liu, K. and Hong, W., and Lu, P., Opt. Express, 19 (2011), 20279.Google Scholar
[39]Light, J. C. and Jr, T. C., Adv. Chem. Phys., 114 (2007), 263.Google Scholar
[40]Tannor, D. J., Introduction to quantummechanics a time-depdentnt perspective, 2000, Uni-versity Science Books.Google Scholar
[41]Rescigno, T. N. and McCurdy, C. W., Phys. Rev. A, 62(2000), 032706.Google Scholar
[42]Guan, X. X., Bartschat, K., and Schneider, B. I., Phys. Rev. A, 83 (2011), 043403.Google Scholar
[43]Guan, X. X., Secor, E. B., Bartschat, K., and Schneider, B. I., Phys. Rev. A, 84 (2011), 033420.CrossRefGoogle Scholar
[44]Baye, D. and Hesse, M., and Vincke, M., Phys. Rev. E, 65 (2002), 026701.Google Scholar
[45]Feit, M. D. and Fleck, J. A., and Jr, , J. Comp. Phys.,81 (1983), 3967.Google Scholar
[46]Madsen, M. M. and Peek, J. M., Atomic Data, 2 (1971), 171.Google Scholar
[47]Milosevic, D. B. and Paulus, G. G., and Bauer, D., and Becker, W., J. Phys. B, 39 (2006), R203.CrossRefGoogle Scholar
[48]Lan, P. F. and Lu, P. X., and Li, F., and Li, Y. H., and Yang, Z., Opt. Express, 16 2008,5868.CrossRefGoogle Scholar
[49]Lein, M., Hay, N., Velotta, R., Marangos, J. P., Knight, P. L., Phys. Rev. A, 66 (2002), 023805.Google Scholar
[50]Zuo, T., Bandrauk, A. D., Phys. Rev. A, 52 (1995), R2511.Google Scholar
[51]Vafaee, M., Sabzyan, H., Vafaee, Z., Katanforoush, A., Phys. Rev. A, 74 (2006), 043416.Google Scholar
[52]Williams, I. D., McKenna, P., Srigengan, B., Johnston, I. M., Bryant, W. A., Sanderson, J. H., El-Zein, A., Goodworth, T. R. J., Newell, W. R., Taday, P. F., Langley, A. J., J. Phys. B, 33 (2000), 2743.Google Scholar
[53]Lan, P., Takahashi, E. J., Midorikawa, K., Phys. Rev. A, 82 (2010) 053413.Google Scholar
[54]Colosimo, P., Doumy, G., Blaga, C., Wheeler, J., Hauri, C., Catoire, F., Tate, J., Chirla, R., March, A., Paulus, G. G., Muller, H.G., Agostini, P., Dimauro, L. F., Nature Phys., 4 (2008), 386.Google Scholar