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 different wavelengths, with πΌ=1×1013, 3×1013 and 6×1013 Wcm-2 intensity at 4.73 a.u. and 7.0 a.u. internuclear distances. Some structures such as minima and oscillatory patterns appearing in the high-order harmonic generation (HHG) spectra are investigated by considering the electron localization, electron nonadiabatic dynamics, and the Rabi frequency of the population of the ground and excited electronic states to better understand the origins of these structures in the HHG spectrum. We have explored that the oscillatory pattern in the HHG spectra originates from an oscillatory pattern in the ππ(π) and ππ’(π) (refers to recombination to the 1ππ and 2πππ’ respectively) spectra and these oscillatory patterns in turn are due to the nonadiabatic electronic behavior appearing as a slow oscillation pattern in the ground and first excited electronic states populations. Also, we show that the minima of the HHG spectrum are related to ππ(π) , ππ’(π), πππ’(π), and orbital interference.
Taghipour,S. and Vafaee,M. (2025). Investigation of nonadiabatic electron dynamics effects on high-harmonic generation spectrum of ππ+. Iranian Journal of Physics Research, 25(3), 37-46. doi: 10.47176/ijpr.25.3.11628
MLA
Taghipour,S. , and Vafaee,M. . "Investigation of nonadiabatic electron dynamics effects on high-harmonic generation spectrum of ππ+", Iranian Journal of Physics Research, 25, 3, 2025, 37-46. doi: 10.47176/ijpr.25.3.11628
HARVARD
Taghipour S., Vafaee M. (2025). 'Investigation of nonadiabatic electron dynamics effects on high-harmonic generation spectrum of ππ+', Iranian Journal of Physics Research, 25(3), pp. 37-46. doi: 10.47176/ijpr.25.3.11628
CHICAGO
S. Taghipour and M. Vafaee, "Investigation of nonadiabatic electron dynamics effects on high-harmonic generation spectrum of ππ+," Iranian Journal of Physics Research, 25 3 (2025): 37-46, doi: 10.47176/ijpr.25.3.11628
VANCOUVER
Taghipour S., Vafaee M. Investigation of nonadiabatic electron dynamics effects on high-harmonic generation spectrum of ππ+. Dear user; Recently we have changed our software to Sinaweb. If you had already registered with the old site, you may use the same USERNAME but you need to change your password. To do so at the first use, please choose, 2025; 25(3): 37-46. doi: 10.47176/ijpr.25.3.11628