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Multiphoton above-threshold detachment of Li-: Exterior-complex-scaling– generalized-pseudospectral method for calculations of complex-quasienergy resonances in Floquet formulation of time-dependent density-functional theory
Telnov, Dmitry A. Chu, Shih-I
Telnov, Dmitry A.
Chu, Shih-I
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Abstract
We extend the exterior-complex-scaling–generalized-pseudospectral (ECSGPS) method [D. A. Telnov and S. I. Chu, Phys. Rev. A 59, 2864 (1999)] to the nonperturbative calculations of complex-quasienergy resonances of many-electron quantum systems within the Floquet formulation of time-dependent density-functional theory (TDDFT) [D. A. Telnov and S. I. Chu, Chem. Phys. Lett. 264, 466 (1997)]. The ECSGPS technique appears very useful in TDDFT-Floquet calculations where the exchange-correlation potentials may exhibit quite complicated behavior as functions of the electron coordinates and cannot be easily treated by means of the uniform-complex-scaling techniques. We have applied this procedure to the study of one-photon detachment and two-photon dominant above-threshold detachment of Li- negative ions. In the one-photon case, the photodetachment cross section has been calculated as a function of the photon energy with results in good agreement with the experimental data. In the two-photon case, both the partial detachment rates and electron angular distributions for the dominant and above-threshold channels are presented for a range of laser field frequencies and intensities. Dramatic transformations of the angular distributions in the vicinity of the two-photon threshold are observed and analyzed.
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This is the publisher's version, also available electronically from http://journals.aps.org/pra/abstract/10.1103/PhysRevA.66.043417.
Date
2002-10-25
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American Physical Society
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Telnov, Dmitry A.; Chu, Shih-I. (2002). "Multiphoton above-threshold detachment of Li-: Exterior-complex-scaling– generalized-pseudospectral method for calculations of complex-quasienergy resonances in Floquet formulation of time-dependent density-functional theory." Physical Review A, 66(4):043417. http://dx.doi.org/10.1103/PhysRevA.66.043417