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This research was supported by the I-Core: the Israeli Excellence Center "Circle of Light" (Grant No. 298/11) and by the Israel Science Foundation (Grant No. 1530/15). A.B.A. acknowledges Dr. Ido Gilari, Dr. Debarati Bhattacharya, and Dr. Arie Landau for helpful discussions and assistance.

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The boomerang effect in electron-hydrogen molecule scattering as determined by time-dependent calculations

Publicado en:JOURNAL OF CHEMICAL PHYSICS. 146 (20): 204303- - 2017-05-28 146(20), DOI: 10.1063/1.4983726

Autores: Ben-Asher, Anael; Moiseyev, Nimrod;

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Resumen

The appearance of oscillations in the energy-dependent cross sections of the vibrational excitation nu = 0 -> nu >= 3 of the hydrogen molecule in its electronic ground state as predicted by Muundel, Berman, and Domcke [Phys. Rev. A 32, 181 (1985)] was confirmed in the electron scattering experiments by Allan [J. Phys. B: At. Mol. Phys. 18, L451 (1985)]. These unusual structures were obtained in spite of the extremely short lifetime of H-2(-) in its ro-vibrational states. Based on the standard (Hermitian) time-independent scattering calculations, Horacek et al. [Phys. Rev. A 73, 022701 (2006)] associated these oscillations with the boomerang effect. Here, we show the boomerang effect as developed in time, based on our time-dependent nuclear wavepacket (WP) calculations. The nuclear WP dynamics of H-2(-) is determined using the non-Hermitian quantum mechanics (NH-QM) which enables the use of the Born-Oppenheimer approximation with complex potential energy surfaces. This NH-QM approach, which enables us the association of the nuclear WP dynamics as obtained from the complex potential energy curve of H-2(-) with the evolution of cross section in time, can enlighten the dynamics in other scattering experiments. Published by AIP Publishing.

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