Computational treatment of electron and photon collisions with atoms, ions, and molecules: the legacy of Philip G Burke

TL;DR: In this paper, the 1s-2s and 1s 2p excitation cross sections in e--H scattering are reported which agree qualitatively with experiment over an energy range from close to the ionization threshold to 54.4 eV.

TL;DR: In this paper, the authors present an ab initio nonperturbative time-dependent approach to the problem of a helium atom driven by an intense xuv laser pulse, based on the finite-element discrete-variable representation, a space discretization is proposed for the radial grid in spherical coordinates.

TL;DR: In this article, the Rmatrix Floquet (RMF) approach has been used to obtain multiphoton detachment rates for Na− using the RMF approach in the low intensity limit agreement with recent theoretical calculations of the total photodetachment cross section.

TL;DR: The development of theoretical and computational atomic and molecular physics in the second half of the twentieth century owes a great deal to the work of Burke as mentioned in this paper, whose knowledge and insight, his enthusiasm, and his enthusiasm were unparalleled.

TL;DR: A parallel message-passing implementation of a molecular dynamics program that is useful for bio(macro)molecules in aqueous environment is described and can handle rectangular periodic boundary conditions with temperature and pressure scaling.

TL;DR: The R-matrix concept of atomic processes was first introduced by Wigner and Eisenbud as mentioned in this paper with the fundamental idea that configuration space describes the scattered particle, and the target is divided into two regions.

TL;DR: A detailed description of the methods being used in a collaborative effort which is referred to as the Opacity Project is given in this article, where the close-coupling approximation of electron-atom collision theory is used to calculate energies and wavefunctions for bound states, oscillator strengths, photoionisation cross sections and parameters for line broadening by electron impact.

TL;DR: This work presents convergent elastic, 2s, and 2p differential cross sections, spin asymmetries, and angular-correlation parameters for the 2p excitation at 35, 54.4, and 100 eV.