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A full-dimensional quantum dynamical study of...
Journal article

A full-dimensional quantum dynamical study of H2+H2 collisions: Coupled-states versus close-coupling formulation

Abstract

Collision-induced energy transfer involving H2 molecules plays an important role in many areas of physics. Kinetic models often require a complete set of state-to-state rate coefficients for H2+H2 collisions in order to interpret results from spectroscopic observations or to make quantitative predictions. Recent progress in full-dimensional quantum dynamics using the numerically exact close-coupling (CC) formulation has provided good agreement …

Authors

Bohr A; Paolini S; Forrey RC; Balakrishnan N; Stancil PC

Journal

The Journal of Chemical Physics, Vol. 140, No. 6,

Publisher

AIP Publishing

Publication Date

February 14, 2014

DOI

10.1063/1.4864357

ISSN

0021-9606