Dynamics of bimolecular reactions in the gas phase are of foundational importance in
combustion, atmospheric chemistry, interstellar chemistry, and plasma chemistry. These …

Electronically non-adiabatic effects play an important role in many chemical reactions.
However, how these effects manifest in cold and ultracold chemistry remains largely …

Cold and ultracold collisions are dominated by quantum effects, such as resonances,
tunneling, and nonadiabatic transitions between different electronic states. Due to the …

This paper concerns the representation of angular momentum operators in the Born–
Oppenheimer theory of polyatomic molecules and the various forms of the associated …

Coriolis coupling plays a crucial role in reactive scattering, but dynamics calculations
including the complete Coriolis coupling significantly increase the difficulty of numerical …

Recently, a combined study of high-resolution molecular crossed beam experiment and
accurate full-dimensional time-dependent theory, including full spin–orbit characteristics on …

In this short review I shall highlight the basic principle and the difficulties that arise in
attempting the computational modeling of seemingly simple systems which hide an …

Nonadiabatic processes play an important role at energies near or higher than conical
intersection of adiabatic potential energy surfaces in chemical reactions. In this work …

An improved fundamental invariant neural network (FI-NN) approach for representing a
potential energy surface (PES) involving permutation symmetry is introduced in this work. In …

This article describes a method for calculating higher order or nonadiabatic corrections in
Born–Oppenheimer theory and its interaction with the translational degrees of freedom. The …