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Title: Efficient photo-dissociation of CH{sub 4} and H{sub 2}CO molecules with optimized ultra-short laser pulses

The fragmentation dynamics of CH{sub 4} and H{sub 2}CO molecules have been studied with ultra-short pulses at laser intensityof up to 10{sup 15}Wcm{sup −2}. Three dimensional molecular dynamics calculations for finding the optimized laser pulses are presented based on time-dependent density functional theory and quantum optimal control theory. A comparison of the results for orientation dependence in the ionization process shows that the electron distribution for CH{sub 4} is more isotropic than H{sub 2}CO molecule. Total conversion yields of up to 70% at an orientation angle of 30{sup o} for CH{sub 4} and 65% at 90{sup 0} for H{sub 2}CO are achieved which lead to enhancement of dissociation probability.
Authors:
; ;  [1]
  1. Department of Physics, Sharif University of Technology, P.O. Box 11365-9567, Tehran (Iran, Islamic Republic of)
Publication Date:
OSTI Identifier:
22492169
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Advances; Journal Volume: 5; Journal Issue: 11; Other Information: (c) 2015 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; COMPARATIVE EVALUATIONS; DENSITY FUNCTIONAL METHOD; DISSOCIATION; ELECTRONS; IONIZATION; LASER RADIATION; METHANE; MOLECULAR DYNAMICS METHOD; MOLECULES; ORIENTATION; PHOTON-MOLECULE COLLISIONS; PROBABILITY; PULSED IRRADIATION; TIME DEPENDENCE