Photodissociation dynamics of the (Formula presented.) ion initiated by several different laser pulses

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Nonadiabatic effects are ubiquitous in physics and chemistry. They are associated with conical intersections (CIs) which are degeneracies between electronic states of polyatomic molecules. Recently, it has been recognized that so-called light-induced conical intersections (LICIs) can be formed both by standing or by running laser waves even in diatomics. Owing to the strong nonadiabatic couplings, the appearance of such laser-induced conical intersections (LICIs) may significantly change the dynamical properties of a molecular system. In the present paper we investigate the photodissociation dynamics of $$\hbox {D}_{2}^{+}$$D2+ ion initiating the nuclear dynamics from the superposition of all the vibrational states produced by ionizing $$\hbox {D}_{2}$$D2. The kinetic energy release and the angular distribution of the photodissociation products are computed with and without LICI for the several different values of the laser parameters. We performed both one- and two-dimensional calculations, as well. In the first scheme the molecules were rotationally frozen, whereas in the latter one, the molecular rotation is included as a full additional dynamic variable. The results obtained undoubtedly demonstrate that the impact of the LICI on the dissociation dynamics of the $$\hbox {D}_{2}^{+}$$D2+ molecule strongly depend upon the laser parameters applied.

Original languageEnglish
Article number128
JournalTheoretical Chemistry Accounts
Issue number11
Publication statusPublished - Nov 1 2015


  • Diatomic molecule
  • Laser-induced conical intersection
  • Nonadiabatic effect
  • Photodissociation
  • Pulse length

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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