scholarly journals Erratum: “What is the best semiclassical method for photochemical dynamics of systems with conical intersections?” [J. Chem. Phys. 109, 3321 (1998)]

1999 ◽  
Vol 110 (1) ◽  
pp. 687-688 ◽  
Author(s):  
Maria S. Topaler ◽  
Thomas C. Allison ◽  
David W. Schwenke ◽  
Donald G. Truhlar
Keyword(s):  
Chem Phys ◽  
Conical Intersections ◽  
Semiclassical Method

scholarly journals Towards controlling the dissociation probability by light-induced conical intersections

2016 ◽  
Vol 194 ◽  
pp. 479-493 ◽  
Author(s):  
András Csehi ◽  
Gábor J. Halász ◽  
Lorenz S. Cederbaum ◽  
Ágnes Vibók
Keyword(s):  
Laser Intensity ◽  
Laser Pulses ◽  
Laser Frequency ◽  
Chem Phys ◽  
Conical Intersections ◽  
Dissociation Process ◽  
Nonadiabatic Coupling ◽  
Dissociation Probability ◽  
Vibrational Levels ◽  
The Impact

Light-induced conical intersections (LICIs) can be formed both by standing or by running laser waves. The position of a LICI is determined by the laser frequency while the laser intensity controls the strength of the nonadiabatic coupling. Recently, it was shown within the LICI framework that linearly chirped laser pulses have an impact on the dissociation dynamics of the D2+molecule (J. Chem. Phys.,143, 014305, (2015);J. Chem. Phys.,144, 074309, (2016)). In this work we exploit this finding and perform calculations using chirped laser pulses in which the time dependence of the laser frequency is designed so as to force the LICI to move together with the field-free vibrational wave packet as much as possible. Since nonadiabaticity is strongest in the vicinity of the conical intersection, this is the first step towards controlling the dissociation processviathe LICI. Our showcase example is again the D2+molecular ion. To demonstrate the impact of the LICIs on the dynamical properties of diatomics, the total dissociation probabilities and the population of the different vibrational levels after the dissociation process are studied and discussed.

Erratum to: Conical intersections induced by the Renner effect: Selected systems [Chem. Phys. Lett. 504 (2011) 20–23]

2012 ◽  
Vol 534 ◽  
pp. 83 ◽  
Author(s):  
A. Papp ◽  
G.J. Halász ◽  
M.C. Bacchus-Montabonel ◽  
Á. Vibók
Keyword(s):  
Chem Phys ◽  
Conical Intersections

What is the best semiclassical method for photochemical dynamics of systems with conical intersections?

1998 ◽  
Vol 109 (9) ◽  
pp. 3321-3345 ◽  
Author(s):  
Maria S. Topaler ◽  
Thomas C. Allison ◽  
David W. Schwenke ◽  
Donald G. Truhlar
Keyword(s):  
Conical Intersections ◽  
Semiclassical Method
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