Precise description of single and double ionization of hydrogen molecule in intense laser pulses.

  title={Precise description of single and double ionization of hydrogen molecule in intense laser pulses.},
  author={Mohsen Vafaee and Firoozeh Sami and Babak Shokri and Behnaz Buzari and Hassan Sabzyan},
  journal={The Journal of chemical physics},
  volume={137 4},
A new simulation box setup is introduced for the precise description of the wavepacket evolution of two electronic systems in intense laser pulses. In this box, the regions of the hydrogen molecule H(2), and singly and doubly ionized species, H(2) (+) and H(2) (+2), are well discernible and their time-dependent populations are calculated at different laser field intensities. In addition, some new regions are introduced and characterized as quasi-double ionization and their time-dependencies on… 
9 Citations

Pathways of the single and double ionization of H2 in intense laser eld

The time dependent Schrodinger and Newton equations are solved simul- taneously for the electrons and the nuclei of H2 respectively. The electrons and nuclei dynamics is separated on the base of the

High harmonic generation from pre-ionized H2 in ultrashort intense laser fields

Effects of the laser pulse wavelength and intensity on the high harmonic generation (HHG) production from the ionic and homolytic pre-ionization transient states of the two-electron H2 system exposed

Strong-field ionization of polyatomic molecules: ultrafast H atom migration and bond formation in the photodissociation of CH3OH.

The mechanism of intramolecular hydrogen migration is successfully explained and the dissociative channels of singly-ionized CH3OH are predicted.

Strong-field-induced single and double ionization dynamics from single and double excitations in a two-electron atom

Two-electron dynamics of an excited model atom interacting with moderately strong laser fields is analyzed in the time domain. We solve the time-dependent Schrödinger equation (TDSE) for two

Electron quantum dynamics in atom-ion interaction.

It is found that the functional form of the time-variations of these regional densities and the extent of ET process depend strongly on the inter-nuclear distance and relative values of the nuclear charges, which define the potential energy surface governing the electron wavepacket evolution.

Diatomic dications and dianions

  • H. SabzyanE. KeshavarzZ. Noorisafa
  • Chemistry, Physics
    Journal of the Iranian Chemical Society
  • 2013
Diatomic dications and dianions are attractive species for quantum chemists and spectroscopists. In comparison with neutral diatomics, these species show a wealth of potential behaviors arising

Complementary version of fermion coupled coherent states method and gram–schmidt algorithm: Theory and applications for electronic states of H2 and H2+

A complementary version for FCCS method to simulate both of the first symmetric and antisymmetric spatial electronic states of two‐electron systems, and the Gram–Schmidt orthogonalization process is employed to reach the excited states of the system.

Contribution of the pre-ionized H2 and the ionized H2+ subsystems to the HHG Spectra of H2 in intense laser fields

Contributions of the pre-ionized H2 (PI-H2) and ionized H 2 + subsystems of the two-electron H2 system to its high-order harmonic generation in eight-cycle sin2-like ultrafast intense laser pulses



Enhanced ionization of hydrogen molecular ions in an intense laser field via a multiphoton resonance

Multiphoton ionization of hydrogen molecular ions in a 480-nm intense laser field is investigated by solving the time-dependent Schroedinger equation numerically in prolate spheroidal coordinates. We

H2 double ionization with few-cycle laser pulses

The temporal dynamics of double ionization of H{sub 2} has been investigated both experimentally and theoretically with few-cycle laser pulses. The main observables are the proton spectra associated

Dynamics of H2+ in intense laser fields

A number of unexpected features of small molecules subjected to intense laser fields, with wavelengths ranging from infrared to ultraviolet, have been observed or predicted in the past few years:

The dynamics of small molecules in intense laser fields

In the past decade, the understanding of the dynamics of small molecules in intense laser fields has advanced enormously. At the same time, the technology of ultra-short pulsed lasers has equally

Dynamic nuclear interference structures in the Coulomb explosion spectra of a hydrogen molecule in intense laser fields : Reexamination of molecular enhanced ionization

Several theoretical models are used to explain the origin of the recently observed (unexpected) spectral progression in the Coulomb explosion spectra of the hydrogen molecule photoionized by an

Enhanced ionization of the H{sub 2} molecule driven by intense ultrashort laser pulses

We report correlated two-electron ab initio calculations for the hydrogen molecule H{sub 2} in interaction with intense ultrashort laser pulses, via a solution of the full three-dimensional

Dissociative double ionization of H 2 and D 2 : Comparison between experiment and Monte Carlo wave packet calculations

Theoretical calculations on dissociative double ionization of ${\mathrm{H}}_{2}$ and ${\mathrm{D}}_{2}$ in short intense laser pulses using the Monte Carlo wave packet technique are presented for

Monte Carlo wave packet approach to dissociative multiple ionization in diatomic molecules

A detailed description of the Monte Carlo wave packet technique applied to dissociative multiple ionization of diatomic molecules in short intense laser pulses is presented. The Monte Carlo wave

Two-electron systems in strong laser fields

In this paper we investigate the single and double ionization signals of ${\text{H}}_{2}$ molecules, with fixed and moving nuclei, as a function of laser intensity, for two different values of laser

Signatures of nuclear motion in molecular high-order harmonics and in the generation of attosecond pulse trains by ultrashort intense laser pulses

Non-Born–Oppenheimer time-dependent Shrödinger equation numerical simulations of the nonlinear nonperturbative response of 1D H2, H+2 molecules (and their isotopes) in few cycle intense 800 nm laser