In recent years several new classes of matrices have been discovered and their structure
exploited to design fast and accurate algorithms. In this new reference work, Raf Vandebril …

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 …

This paper explores the utility of a discrete singular convolution algorithm for vibration
analysis. A number of different realizations of singular convolution kernels are selected to …

The Schrödinger eigenvalue problem is solved with the imaginary time propagation
technique. The separability of the Hamiltonian makes the problem suitable for the …

This paper explores the utility of a discrete singular convolution (DSC) algorithm for solving
the Schrödinger equation. DSC kernels of Shannon, Dirichlet, modified Dirichlet and de la …

High angular momentum partial waves are indispensable in the numerical calculations of
the time-dependent Schrödinger equation (TDSE) for the interaction between atoms and …

Lagrange distributed approximating functionals (LDAFs) are proposed as the basis for a
new, collocation-type method for accurately approximating functions and their derivatives …

The classification of short hydrogen bonds depends on several factors including the shape
and energy spacing between the nuclear eigenstates of the hydrogen. Here, we describe …

The view of considering global Pseudospectral methods (Sinc and Fourier) as the infinite
order limit of local finite difference methods, and vice versa, finite difference as a certain sum …

We present an implementation of the multiconfiguration time-dependent Hartree–Fock
method based on the adaptive finite element method for molecules under intense laser …