Nonadiabatic electron dynamics effects on high-harmonic generation spectrum of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si2.svg"><mml:msubsup><mml:mi mathvariant="normal">H</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mo>+</mml:mo></mml:msubsup></mml:math>: Minima and oscillatory pattern

نویسندگان

چکیده

We numerically solved the full-dimensional electronic time-dependent Schrödinger equation for H2+ with Born-Oppenheimer approximation under different sin2-shaped and trapezoidal laser pulses at some wavelengths, I = 1 × 1013, 3 1013 6 Wcm−2 intensity 4.73 a.u. 7.0 internuclear distances. Some structures such as minima oscillatory patterns appearing in high-order harmonic generation (HHG) spectra. evaluate these HHG spectrum by considering electron localization, nonadiabatic dynamics, Rabi oscillation of population ground excited states. have explored that originate from phase Sgω Suω spectra due to recombination 1σg 2pσu respectively. These turn are behavior a slow pattern first states populations. show related Sgω, Suω, orbital interference.

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ژورنال

عنوان ژورنال: Computational and Theoretical Chemistry

سال: 2023

ISSN: ['2210-2728', '2210-271X']

DOI: https://doi.org/10.1016/j.comptc.2023.114151