ATOMIC AND MOLECULAR PHYSICS |
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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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Cite this article: |
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.
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Received: 08 July 2013
Published: 21 November 2013
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PACS: |
31.15.A-
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(Ab initio calculations)
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33.80.-b
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(Photon interactions with molecules)
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33.80.Wz
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(Other multiphoton processes)
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