The quantum trajectory method provides an efficient computational technique for solving
both stationary and time-evolving states, encompassing a large area of quantum mechanics …

Graphene is impermeable to gases, but introducing subnanometer pores can allow for
selective gas separation. Because graphene is only one atom thick, tunneling can play an …

We present an exhaustive class of states with quantum backflow—the phenomenon in which
a state consisting entirely of positive momenta has negative current and the probability flows …

A fast and robust time‐independent method to calculate thermal rate constants in the deep
resonant tunneling regime for scattering reactions is presented. The method is based on the …

An interpretation of the probability flux is given, based on a derivation of its eigenstates and
relating them to coherent-state projections on a quantum wave function. An extended …

Reaction rate constants can be directly obtained from evolution of the flux operator
eigenvectors under the Boltzmann and Hamiltonian operators. This is achieved by evolving …

Triplet ketene exhibits a steplike structure in the experimentally observed dissociation rates,
but its mechanism is still unknown despite many theoretical efforts in the past decades. In …

Triplet ketene exhibits a steplike structure in the experimentally observed dissociation rate,
but its mechanism is still unclear despite many theoretical efforts. A previous surface …

In this chapter we justify and explain the use of a semiclassical approach in quantum
trajectory dynamics, then show how approximations can be balanced to make the dynamics …

Chemical dynamics, in principle, should be understood by solving the time-dependent
Schrodinger equation for a molecular system, describing motion of the nuclei and electrons …