Chin. Phys. Lett.  2013, Vol. 30 Issue (10): 103103    DOI: 10.1088/0256-307X/30/10/103103
ATOMIC AND MOLECULAR PHYSICS |
Alignment-Dependent Ionization of CO2 in the Intense Laser Fields: Single-Active-Electron Approach
HU Shi-Lin1,3, ZHAO Zeng-Xiu2, SHI Ting-Yun1
1State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071
2Department of Physics, National University of Defense Technology, Changsha 410073
3University of the Chinese Academy of Sciences, Beijing 100049
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HU Shi-Lin, ZHAO Zeng-Xiu, SHI Ting-Yun 2013 Chin. Phys. Lett. 30 103103
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Abstract We perform Hartree–Fock calculations to obtain occupied orbitals for triatomic molecule CO2, based on one-center method and B-splines to deal with cusps and speed up convergence. Both the orbital energies and charge distribution are in good accordance with the reference data. The valence orbital is propagated with single-active-electron approximation, and the alignment-dependent ionization yield peaks about 40°. However, there are discrepancies between our results and the experimental data, and many-electron effects may need to be exploited further to describe them.
Received: 08 July 2013      Published: 21 November 2013
PACS:  31.15.A- (Ab initio calculations)  
  33.80.-b (Photon interactions with molecules)  
  33.80.Wz (Other multiphoton processes)  
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https://cpl.iphy.ac.cn/10.1088/0256-307X/30/10/103103       OR      https://cpl.iphy.ac.cn/Y2013/V30/I10/103103
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HU Shi-Lin
ZHAO Zeng-Xiu
SHI Ting-Yun
[1] Krausz F and Ivanov M 2009 Rev. Mod. Phys. 81 163
[2] Itatani J et al 2004 Nature 432 867
[3] Ammosov M V, Delone N B and Krainov V P 1986 Zh. Eksp. Teor. Fiz. 91 2008
[4] Tong X M, Zhao Z X and Lin C D 2002 Phys. Rev. A 66 033402
[5] Zhang B and Zhao Z X 2010 Chin. Phys. Lett. 27 043301
[6] Keldysh L V 1965 Sov. Phys. JETP 20 1307
[7] DeWitt M J, Wells E and Jones R R 2001 Phys. Rev. Lett. 87 153001
[8] Lin Z Y et al 2012 Phys. Rev. Lett. 108 223001
[9] Bocharova I et al 2011 Phys. Rev. Lett. 107 063201
[10] Litvinyuk I V et al 2003 Phys. Rev. Lett. 90 233003
[11] Zhang S, Xia Y Q, Wang Y Q, Lu Z Z and Chen D Y 2009 Chin. Phys. Lett. 26 083202
[12] Pavi?i? D et al 2007 Phys. Rev. Lett. 98 243001
[13] Zhao S F, Jin C, Le A T, Jiang T F and Lin C D 2009 Phys. Rev. A 80 051402(R)
[14] Zhao S F, Jin C, Le A T, Jiang T F and Lin C D 2010 Phys. Rev. A 81 033423
[15] Abu-samha M and Madsen L B 2010 Phys. Rev. A 81 033416
[16] Gallup G A and Fabrikant I I 2010 Phys. Rev. A 81 033417
[17] Zhang B and Zhao Z X 2010 Phys. Rev. A 82 035401
[18] Abu-samha M and Madsen L B 2009 Phys. Rev. A 80 023401
[19] Son S K and Chu S I 2009 Phys. Rev. A 80 011403
[20] Murray R, Spanner M, Patchkovskii S and Ivanov M Y 2011 Phys. Rev. Lett. 106 173001
[21] Hu S L, Zhao Z X and Shi T Y 2013 arXiv:1308.6408v1
[22] Bachau H, Cormier E, Decleva P, Hansen J E and Martín F 2001 Rep. Prog. Phys. 64 1815
[23] Frisch M J et al 2003 Gaussian 03 (Gaussian Inc. Pittsburgh PA)
[24] Petretti S, Vanne Y V, Saenz A, Castro A and Decleva P 2010 Phys. Rev. Lett. 104 223001
[25] Thomann I et al 2008 J. Phys. Chem. A 112 9382
[26] Wu C Y, Zhang H, Yang H and Gong Q H 2011 Phys. Rev. A 83 033410
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