Pseudospectral techniques in minimum-variance calculations of electron-scattering cross sections.

Abstract

We propose a method for calculating electron-scattering cross sections which consists of a combination of the minimum-variance approach to optimizing a trial wave function and pseudospectral techniques for evaluating exchange contributions. Tests in simple applications indicate that this hybrid approach is remarkably efficient. Only one-electron matrix elements and quantities depending on the trial function and its derivatives evaluated at grid points are required. The extension to more complex systems is discussed.