An "adiabatic-hindered-rotor" treatment allows para-H(2) to be treated as if it were spherical.
In para-H(2)-{molecule} interactions, the common assumption that para-H(2) may be treated as a spherical particle is often substantially in error. For example, quantum mechanical eigenvalues on a full four-dimensional (4D) potential energy surface for para H(2)-{linear molecule} species often differ substantially from those calculated from the corresponding two-dimensional (2D) surface obtained by performing a simple spherical average over the relative orientations of the H(2) moiety. However, use of an "adiabatic-hindered-rotor" approximation can yield an effective 2D surface whose spectroscopic properties are an order of magnitude closer to those yielded by a full 4D treatment.
Li
Hui
H
Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, 2519 Jiefang Road, Changchun 130023, People's Republic of China.
Roy
Pierre-Nicholas
PN
Le Roy
Robert J
RJ
D006859:Hydrogen / Q000737:chemistry*; D011789:Quantum Theory; D013499:Surface Properties
D006859:Hydrogen