Abstract
We present a method for including a variational correction in the discrete-basis-set method for electron-molecule scattering introduced by Rescigno, McCurdy, and McKoy. Our prescription for variationally corrected partial-wave K-matrix elements is based on Kohn's formula for the variationally stable scattering amplitude in three dimensions. The method is applied to e - H2 scattering in the static-exchange approximation, and the effect of choosing different trial basis sets is shown. Our results are in good agreement with the results of other accurate calculations.
Original language | English (US) |
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Pages (from-to) | 1048-1054 |
Number of pages | 7 |
Journal | Physical Review A |
Volume | 18 |
Issue number | 3 |
DOIs | |
State | Published - 1978 |
Externally published | Yes |
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics