By expressing an unknown state in terms of a complete set, a simple scheme for
approximate quantization of the continuous vibrational–rotational energy distributions that …

We present the molecular symmetry (MS) adapted treatment of nonadiabatic coupling terms
(NACTs) for the excited electronic states (22E′ and 12A1′) of Na3 cluster, where the …

The fundamental invariant neural network (FI-NN) approach is developed to represent
coupled potential energy surfaces in quasidiabatic representations with two-dimensional …

Starting from a model study of the collinear (H, H2) exchange reaction in 1959, the time-
dependent quantum mechanical wave packet (TDQMWP) method has come a long way in …

We report quantum wave packet calculations of state-to-state reaction probabilities and
cross sections for the reaction H+ H 2 (v 0= 0, j 0= 0)→ H 2 (v, j)+ H⁠, at total energies up to …

When a group of four states forms a subspace of the Hilbert space, ie, appears to be strongly
coupled with each other but very weakly interacts with all other states of the entire space, it is …

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 following sections are included: Introduction Born-Oppenheimer Electronic Potential
Energy Surfaces and Their Interactions The Born-Oppenheimer Expansion The Born …

The state-to-state dynamics of the H+ D 2 reaction is studied by the reactant-product
decoupling method using the double many-body expansion potential energy surface. Two …

The location and consequences of linked seams of conical intersections, conical
intersections of states (J, K) and (K, L), are considered. We show that this class of conical …