Controlling chemical reactions by selecting specific bond or vibrational mode excited states
of the reactants and analyzing the energy disposal into specific vibrational states as well as …

In this review we cover recent advances in the theory of the selective adsorption
phenomenon that appears in light atom/molecule scattering off solid surfaces. Due to the …

Spectral and pseudospectral methods have become increasingly popular as higher order
methods for the solution of partial differential and integral equations (Azaïez et al. 2013). A …

Graduate Texts in Physics publishes core learning/teaching material for graduate-and
advanced-level undergraduate courses on topics of current and emerging fields within …

We describe a new approach based on semiclassical molecular dynamics that allows
simulating infrared absorption or emission spectra of molecular systems with inclusion of …

With the rapid advance of modern laser technologies, lasers of various frequencies and
different intensities are routinely available in many laboratories. 1 Studies of the highly …

The continuous-time quantum walk denotes the evolution of a particle on a given graph
governed by Schrödinger's equation. For different applications, the corresponding …

A new modeling formalism to compute the time-dependent behavior of combined
electromagnetic (EM) and quantum mechanical (QM) systems is proposed. The method is …

Abstract Two Finite-Difference Time-Domain (FDTD) methods are developed for solving the
Schrödinger equation on nonuniform tensor-product grids. The first is an extension of the …

A quantum-mechanical study of the predissociation of H2O+ (B̃ 2B2) is carried out by using
wave packet propagations on ab initio potential energy surfaces connected by nonadiabatic …