Direct numerical simulation of the interaction of an ultra short-pulsed intense laser with a H+ 2 molecule

Y. M. Lee*, Jong-Shinn Wu, Tsin-Fu Jiang, Y. S. Chen

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

In this paper, interactions of a linearly polarized ultra short-pulsed intense laser with a single H+2 molecule at various angles of incidence are studied by directly solving the timedependent three-dimensional Schrodinger equation (TDSE), assuming Born-Oppenheimer approximation. An explicit stagger-time algorithm is employed for time integration of the TDSE, in which the real and imaginary parts of the wave function are defined at alternative times, while a cell-centered finite-volume method is utilized for spatial discretization of the TDSE on Cartesian grids. The TDSE solver is then parallelized using domain decomposition method on distributed memory machines by applying a multi-level graph-partitioning technique. The solver is applied to simulate laser-molecular interaction with test conditions including: laser intensity of 0.5* 1014 W/cm2, wavelength of 800 nm, three pulses in time, angle of incidence of 0-90° and inter-nuclear distance of 2 a.u.. Simulation conditions include 4 million hexahedral cells, 90 a.u. long in z direction, and time-step size of 0.005 a.u.. Ionization rates, harmonic spectra and instantaneous distribution of electron densities are then obtained from the solution of the TDSE. Future possible extension of the present method is also outlined at the end of this paper.

Original languageEnglish
Title of host publication2008 Proceedings of the ASME Micro/Nanoscale Heat Transfer International Conference, MNHT 2008
Pages1171-1177
Number of pages7
DOIs
StatePublished - 2008
Event1st ASME Micro/Nanoscale Heat Transfer International Conference, MNHT08 - Tainan, Taiwan
Duration: 6 Jan 20089 Jan 2008

Publication series

Name2008 Proceedings of the ASME Micro/Nanoscale Heat Transfer International Conference, MNHT 2008
VolumePART B

Conference

Conference1st ASME Micro/Nanoscale Heat Transfer International Conference, MNHT08
Country/TerritoryTaiwan
CityTainan
Period6/01/089/01/08

Keywords

  • Finitevolume method
  • Ionization rate
  • Parallel
  • Time-dependent schrodinger equation
  • Ultra short-pulsed

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