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FEM R-Matrix Calculations of Electron-H2 Collisions

Authors :
Huo, Winifred M
Langhoff, Stephen R
Publication Year :
1996
Publisher :
United States: NASA Center for Aerospace Information (CASI), 1996.

Abstract

Electron-H2 Collisions have been studied using the finite-element R-matrix method. Our approach uses a mixed finite-element and Gaussian basis to describe the continuum electron. In the inner region, the multi-centered nature of the Gaussian basis provides an efficient representation in the regions of space near the nuclei, whereas the piecemeal and energy-independent nature of the FEM basis is particular well suited for R-matrix calculations. Fixed nuclei calculations have been carried out at 1.4 a(sub 0), the equilibrium internuclear distance of the ground state. Up to six target states are included: the X(sup 1)E+(sub g), b(sup 3)E+(sub u), a(sup 3)E+(sub g), B(sup 1)E+(sub u), c(sup 3)II(sub u), and C(sup 1)II(sub u) states, and configuration-interaction functions are used to describe the target states. The results will be compared with available theoretical and experimental data.

Subjects

Subjects :
Atomic And Molecular Physics

Details

Language :
English
Database :
NASA Technical Reports
Notes :
RTOP 242-80-01
Publication Type :
Report
Accession number :
edsnas.20020038569
Document Type :
Report