0000000000974273
AUTHOR
Roberto Marquardt
Laser-induced enhancement of tunneling in NHD2
We apply and explore techniques aiming at enhancing the tunneling by laser fields, originally developed for a one-dimensional model, to a complete six-dimensional vibrational model of the inversion motion in NHD(2). The computational study is performed with the multi-configuration time-dependent Hartree method. Assuming an ideal three-dimensional alignment we obtain a driven tunneling time twenty times smaller than the natural one, in rather good agreement with an oversimplified three-state model. In the case of one-dimensional alignment, a linearly polarized field leads to a poor enhancement of the tunneling probability, after averaging over the rotation about the alignment axis, whereas a…
Definition of the halogen bond (IUPAC Recommendations 2013)
This recommendation proposes a definition for the term “halogen bond”, which designates a specific subset of the inter- and intramolecular interactions involving a halogen atom in a molecular entity.