Abstract
The Z-matrix formulation of Brown and Light [J. Chem. Phys. 101, 3723 (1994)], based on a Kohn variational principle for a general class of finite-range scattering functionals, is applied to electron-molecule collisions employing a mixed basis of Gaussians and finite-element interpolation polynomials (times spherical harmonics). The local nature of the finite elements is particularly well suited for finite-range calculations, and all integrals involved are energy independent. The implementation of the method is designed to make use of sophisticated target functions. Numerical examples for both elastic collision of H and inelastic collision of ${\mathrm{H}}_{2}$ illustrate the applicability of this approach. The results are compared with data obtained using other theoretical methods as well as experimental data.
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