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Phys. Rev. A 37, 3749–3754 (1988)

Complex Kohn variational method: Application to low-energy electron-molecule collisions

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B. I. Schneider
Theoretical Division T-12, Los Alamos National Laboratory, MS J-569, Los Alamos, New Mexico 87545

T. N. Rescigno
Lawrence Livermore National Laboratory, P.O. Box 808, Livermore, California 94550

Received 5 November 1987; published in the issue dated May 1988

An algebraic variational method, based on application of the Kohn principle to the T matrix, is formulated for multichannel scattering problems and applied to the case of low-energy electron-molecule collisions. The method requires only Hamiltonian matrix elements and is anomaly-free. The present formulation is noteworthy in that it requires no bound-free nor free-free exchange matrix elements. The new technique is illustrated by application to e-+H2 scattering in both the static-exchange and the two-state approximations. The method is found to be both efficient and accurate.

© 1988 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.37.3749
DOI:
10.1103/PhysRevA.37.3749
PACS:
34.80.Bm, 34.80.Gs, 03.65.Nk