Ab initio vibrational predissociation dynamics of He-I2(B) complex.

Heterodynedetected timedomain measurement of I2 predissociation and vibrational dynamics in solution

Articles you may be interested in Quasiclassical dynamics of the I2–Ne2 vibrational predissociation: A comparison with experiment Quantummechanical study of the I2–Ne vibrational predissociation dynamics: A threedimensional time dependent selfconsistentfield approach

Competition between adiabatic and nonadiabatic fragmentation pathways in the unimolecular decay of the ArI2(B) van der Waals complex.

The competition between vibrational and electronic predissociations of the ArI2(B) van der Waals complex has been studied using several dynamical computational methods: exact quantum wave-packet propagation, time-dependent golden rule, and quasiclassical trajectory with quantum jumps model. Five electronic states are considered using recent three-dimensional coupled surfaces obtained with a per...

Near-infrared spectrum and rotational predissociation dynamics of the He-HF complex from an ab initio symmetry-adapted perturbation theory potential

A theoretical study on electronic predissociation in the NeBr2 van der Waals molecule

0301-0104/$ see front matter 2011 Elsevier B.V. A doi:10.1016/j.chemphys.2011.09.015 ⇑ Corresponding author. E-mail address: [email protected] (K.C. Janda). We present the first comprehensive ab initio study of the Ne–Br2 potential energy surfaces and the nonadiabatic couplings between the valence excited electronic states. These ab initio results are used to obtain 3-D approximate potentials for...

Communications: A model study on the electronic predissociation of the NeBr(2) van der Waals complex.

Recently, the predissociation lifetimes of the NeBr(2)(B) complex for different initial vibrational excitation (10<or=v(')<or=20) have been measured using time-resolved optical pump-probe spectroscopy [Taylor et al., J. Chem. Phys., 132, 104309 (2010)]. In the vibrational interval studied, the vibrational predissociation (VP) proceeds by the transfer of a single vibrational quantum and the life...