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Quantum Simulation Quantum Chemistry

Theoretical investigation of the Freeman resonance in the dissociative ionization of H2+

arXiv
Authors: Jinzhen Zhu

Year

2020

Paper ID

21290

Status

Preprint

Abstract Read

~2 min

Abstract Words

143

Citations

N/A

Abstract

The dissociative ionization of H2^+ in linearly polarized, 400 nm laser pulses is simulated by solving a three-particle time-dependent Schrödinger equation in full dimensionality. The joint energy spectra (JES) are computed for cos8 and flat-top envelopes using the time-dependent surface flux (tSurff) methods. In JES, the energy sharing n photon energies ω of nuclear kinetic energy release (KER) EN and electronic KER Ee are well represented by EN+Ee=nω-Up+E0 for cos8 pulses, but satisfy EN+Ee=nω+E0 for flat-top envelope, exposing a deviation of the ponderomotive energy Up, which has been observed in experiments, where E0 is the ground energy of H2^+. The analysis of the wavefunction for electrons and protons after the pulse are presented, where we find Up is absorbed by the Freeman resonances between two excited ungerade states.

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  • The dissociative ionization of H2^+ in linearly polarized, 400 nm laser pulses is simulated by solving a three-particle time-dependent Schrödinger equation in full dimensionality.

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References & Citation Signals

[1] DOI https://doi.org/arXiv:2008.09528 [2] arXiv https://arxiv.org/abs/2008.09528 [3] Publisher https://arxiv.org/abs/2008.09528

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