A new electronically non-adiabatic quantum reactive scattering methodology is presented
based on a time-independent coupled channel formalism and the adiabatically adjusting …

The results from electronically non-adiabatic and adiabatic quantum reactive scattering
calculations are presented for the H+ HD (v= 5–9)→ H+ HD (v′, j′) reaction at ultracold …

The results of accurate quantum reactive scattering calculations for the D+ HD (v= 4, j= 0)
$\to $ D+ HD ($ v^{\prime} $, $ j^{\prime} $), D+ HD (v= 4, j= 0) $\to $ H+ D 2 ($ v^{\prime} …

In this work we explore the applicability of the adiabatic rotation approximations to state-to-
state quantum reactive scattering for three-body systems within the context of the coupled …

The results of accurate quantum scattering calculations in symmetrized hyperspherical
coordinates are reported for the D+ H 2 (v, j)→ HD (v′, j′)+ H reaction at 48 values of total …

The general vector potential (gauge theory) approach for including geometric phase effects
in accurate three-dimensional quantum scattering calculations in symmetrized …

The results of accurate 3D quantum scattering calculations in symmetrized hyperspherical
coordinates are reported for the H+ D 2 (v, j)→ HD (v′, j′)+ D reaction at 64 values of total …

A non-adiabatic quantum dynamics methodology based on a time-independent coupled-
channel approach is applied to the fully symmetric H+ H 2 (v= 4-8, j= 0)→ H+ H 2 (v′, j′) …

Time-independent three-dimensional quantum reactive scattering calculations including the
effect of electronically nonadiabatic coupling have been carried out for the O (1 D)+ H 2, D 2 …

A general and practical procedure is described for calculating rate constants for chemical
reactions using a minimal number of ab initio calculations and quantum-dynamical …