Publication Abstracts
Huo and Brown 1999
Huo, W.M., and D. Brown, 1999: Finite-element Z-matrix method: Application to electron-molecule collisions. Phys. Rev. A, 60, 295-305, doi:10.1103/PhysRevA.60.295.
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 base of Gaussians and finite-element interpolation polynomials (times spherical harmonics). The local nature of the finite elements is particualrly 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 H2 illustrate the applicability of this approach. The results are compared with data obtained using other theoretical methods as well as experimental data.
Export citation: [ BibTeX ] [ RIS ]
BibTeX Citation
@article{hu01000b, author={Huo, W. M. and Brown, D.}, title={Finite-element Z-matrix method: Application to electron-molecule collisions}, year={1999}, journal={Physical Review A}, volume={60}, pages={295--305}, doi={10.1103/PhysRevA.60.295}, }
[ Close ]
RIS Citation
TY - JOUR ID - hu01000b AU - Huo, W. M. AU - Brown, D. PY - 1999 TI - Finite-element Z-matrix method: Application to electron-molecule collisions JA - Phys. Rev. A JO - Physical Review A VL - 60 SP - 295 EP - 305 DO - 10.1103/PhysRevA.60.295 ER -
[ Close ]