▪ Abstract This review discusses recent quantum scattering calculations on bimolecular
chemical reactions in the gas phase. This theory provides detailed and accurate predictions …

The ion chemistry of helium currently embraces a large variety of species, mostly cationic,
which range from simple small-size molecular fragments or complexes to large-size cluster …

It is essential to evaluate the role of Coriolis coupling effect in molecular reaction dynamics.
Here we consider Coriolis coupling effect in quantum reactive scattering calculations in the …

We have carried out fully close-coupled three dimensional quantum mechanical wave
packet dynamical calculations for the reaction He+ H 2+→ HeH++ H on the ground …

This paper is an overview of the theory of reactive scattering, with emphasis on fully
quantum mechanical theories that have been developed to describe simple chemical …

First-principles based beyond Born–Oppenheimer theory has been employed to construct
multistate global Potential-Energy Surfaces (PESs) for the HeH2+ system by explicitly …

New potential energy surfaces (PES) have been constructed for H2+–He using a
reproducing kernel Hilbert space (RKHS) representation from an extensive number of ab …

We investigate the above-threshold multiphoton ionization of H 2 embedded in superfluid
He nanodroplets driven by ultraviolet femtosecond laser pulses. We find that the …

In this work, we present quantum-mechanical rate constants for the prototypical reaction F
(2P3/2)+ H2 (v= 0, j= 0,…, 5)→ HF (v′, j′)+ H for temperatures ranging from∼ 10 up to …

Aims. We reassess the role of HeH+ with the aid of newly calculated rates that use entirely
ab initio methods, which thereby allow us to compute with higher accuracy the relevant …