CUBIC-GRID GAUSSIAN-BASIS SETS FOR ELECTRON-SCATTERING CALCULATIONS .3. EFFECT OF BASIS-SET TRANSLATION AND SIZE ON THE CALCULATED CROSS-SECTION

Previously developed cubic-grid basis sets of various sizes were used for the calculation of cross sections for elastic and inelastic electron scattering by the He and Ne atoms and the H2O molecule by the T-matrix expansion method. The aim was to test the invariance of calculated cross sections with respect to the translation of the target molecule and to examine the effect of basis-set size on the results. We also present a simple procedure for accounting for long-range interactions from the part of space that lies outside the volume that contains the cubic-grid basis set. (C) 1995 John Wiley & Sons, Inc.