Ab-initio simulation of the ionization and fragmentation of acetylene by strong femtosecond laser pulses

Arthur Russakoff, Sergiy Bubin, Kalman Varga

Research output: Contribution to journalArticle

Abstract

The electron and nuclear dynamics of acetylene when interacting with strong short laser pulses has been simulated in the framework of real-space Time Dependent Density Functional Theory (TDDFT) and molecular dynamics. The stretching and dissociation of individual bonds are reported, and are shown to depend on the laser field intensity and orientation relative to the laser polarization. The ionization dynamics, including ionization from individual Kohn-Sham orbitals, is also reported. The orbital ionization dynamics are shown to vary with an increase in the intensity of the laser field.

Original languageEnglish
Article number012055
JournalJournal of Physics: Conference Series
Volume574
Issue number1
DOIs
Publication statusPublished - 2014
Externally publishedYes

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acetylene
fragmentation
ionization
pulses
lasers
simulation
orbitals
dissociation
molecular dynamics
density functional theory
polarization
electrons

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Ab-initio simulation of the ionization and fragmentation of acetylene by strong femtosecond laser pulses. / Russakoff, Arthur; Bubin, Sergiy; Varga, Kalman.

In: Journal of Physics: Conference Series, Vol. 574, No. 1, 012055, 2014.

Research output: Contribution to journalArticle

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