Photodissociation dynamics of the $$\hbox {D}_{2}^{+}$$ D 2 + ion initiated by several different laser pulses

Verfasser / Beitragende:
[Gábor Halász, András Csehi, Ágnes Vibók]
Ort, Verlag, Jahr:
2015
Enthalten in:
Theoretical Chemistry Accounts, 134/11(2015-11-01), 1-9
Format:
Artikel (online)
ID: 60548872X
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024 7 0 |a 10.1007/s00214-015-1745-0  |2 doi 
035 |a (NATIONALLICENCE)springer-10.1007/s00214-015-1745-0 
245 0 0 |a Photodissociation dynamics of the $$\hbox {D}_{2}^{+}$$ D 2 + ion initiated by several different laser pulses  |h [Elektronische Daten]  |c [Gábor Halász, András Csehi, Ágnes Vibók] 
520 3 |a 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 $$\hbox {D}_{2}^{+}$$ D 2 + ion initiating the nuclear dynamics from the superposition of all the vibrational states produced by ionizing $$\hbox {D}_{2}$$ D 2 . 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 $$\hbox {D}_{2}^{+}$$ D 2 + molecule strongly depend upon the laser parameters applied. 
540 |a Springer-Verlag Berlin Heidelberg, 2015 
690 7 |a Photodissociation  |2 nationallicence 
690 7 |a Nonadiabatic effect  |2 nationallicence 
690 7 |a Laser-induced conical intersection  |2 nationallicence 
690 7 |a Diatomic molecule  |2 nationallicence 
690 7 |a Pulse length  |2 nationallicence 
700 1 |a Halász  |D Gábor  |u Department of Information Technology, University of Debrecen, PO Box 12, 4010, Debrecen, Hungary  |4 aut 
700 1 |a Csehi  |D András  |u Department of Theoretical Physics, University of Debrecen, PO Box 5, 4010, Debrecen, Hungary  |4 aut 
700 1 |a Vibók  |D Ágnes  |u Department of Theoretical Physics, University of Debrecen, PO Box 5, 4010, Debrecen, Hungary  |4 aut 
773 0 |t Theoretical Chemistry Accounts  |d Springer Berlin Heidelberg  |g 134/11(2015-11-01), 1-9  |x 1432-881X  |q 134:11<1  |1 2015  |2 134  |o 214 
856 4 0 |u https://doi.org/10.1007/s00214-015-1745-0  |q text/html  |z Onlinezugriff via DOI 
898 |a BK010053  |b XK010053  |c XK010000 
900 7 |a Metadata rights reserved  |b Springer special CC-BY-NC licence  |2 nationallicence 
908 |D 1  |a research-article  |2 jats 
949 |B NATIONALLICENCE  |F NATIONALLICENCE  |b NL-springer 
950 |B NATIONALLICENCE  |P 856  |E 40  |u https://doi.org/10.1007/s00214-015-1745-0  |q text/html  |z Onlinezugriff via DOI 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Halász  |D Gábor  |u Department of Information Technology, University of Debrecen, PO Box 12, 4010, Debrecen, Hungary  |4 aut 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Csehi  |D András  |u Department of Theoretical Physics, University of Debrecen, PO Box 5, 4010, Debrecen, Hungary  |4 aut 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Vibók  |D Ágnes  |u Department of Theoretical Physics, University of Debrecen, PO Box 5, 4010, Debrecen, Hungary  |4 aut 
950 |B NATIONALLICENCE  |P 773  |E 0-  |t Theoretical Chemistry Accounts  |d Springer Berlin Heidelberg  |g 134/11(2015-11-01), 1-9  |x 1432-881X  |q 134:11<1  |1 2015  |2 134  |o 214