Nuclear classical dynamics of H2 in an intense laser field

Abstract

In the first part of this paper, the different distinguishable pathways and regions of the single and sequential double ionization are determined and discussed. It is shown that there are two distinguishable pathways for the single ionization and four distinct pathways for the sequential double ionization. It is also shown that there are two and three different regions of space which are related to the single and double ionization, respectively. In the second part of the paper, the time-dependent Schrödinger and Newton equations are solved simultaneously for the electrons and the nuclei of H2, respectively. The electron and nuclei dynamics are separated on the basis of the adiabatic approximation. The soft-core potential is used to model the electrostatic interaction between the electrons and the nuclei. A variety of wavelengths (390, 532 and 780 nm) and intensities (5 × 1014 and 5 × 1015 W cm−2) of the ultrashort intense laser pulses with a sinus second-order envelope function are used. The behaviour of the time-dependent classical nuclear dynamics in the absence and presence of the laser field is investigated and compared. In the absence of the laser field, there are three distinct sections for the nuclear dynamics on the electronic ground state energy curve. The bond hardening phenomenon does not appear in this classical nuclear dynamics simulation.