@article { ISI:000250665800015,
	title = {Photodissociation of F-2 in solid Ar: Electronic state distribution in cage-exit},
	journal = {CHEMICAL PHYSICS},
	volume = {338},
	year = {2007},
	month = {SEP 25},
	pages = {200-206},
	abstract = {The role of different electronic states in cage-exit of F atoms for F-2 photodissociation in solid Ar is investigated by nonadiabatic molecular dynamics simulations, using Tully{\textquoteright}s {\textquoteleft}{\textquoteleft}Surface-Hopping{\textquoteright}{\textquoteright} approach. The 36 potential surfaces involved are treated by the diatomics-in-molecules (DIM) method. A simulation of 255 Ar atoms in an FCC structure with periodic boundary conditions is used. The results are: (I) Direct cage-exit events are not observed. At least two collisions of the F atoms with the Ar cage are necessary for cage-exit. (II) The total singlet to triplet population ratio at the instant of cage-exit is approximately the statistical one. (III) Some cage-exit events occur for the attractive states (1)Sigma(+)(g), (3)pi(u) but their role is much smaller than for the caged species. (IV) The Lambda quantum number distribution at cage-exit is more uniform than for the caged species. Thus, the electronic state distribution for cage-exit differs greatly from that of the caged species. (c) 2007 Elsevier B.V. All rights reserved.},
	issn = {0301-0104},
	doi = {10.1016/j.chemphys.2007.05.006},
	author = {A. Cohen and Gerber, R. B.}
}
