Minimum-variance approach to electron-scattering calculations: Elimination of anomalies and Monte Carlo implementation

C. William McCurdy and T. N. Rescigno
Phys. Rev. A 40, 1297 – Published 1 August 1989
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Abstract

It is demonstrated, in calculations on one- and two-electron systems, that K-matrix (real-valued) boundary conditions in the trial wave function in the minimum-variance method can give anomalies at certain energies, while T-matrix (complex) boundary conditions do not. A Monte Carlo procedure is proposed for computing scattering amplitudes in a many-electron system that uses the minimum-variance approach to treat incident and target electrons on the same footing. Successful exploratory calculations on e-H scattering in the radial limit suggest that this approach may provide a path to direct Monte Carlo scattering calculations on many-fermion systems.

  • Received 13 March 1989

DOI:https://doi.org/10.1103/PhysRevA.40.1297

©1989 American Physical Society

Authors & Affiliations

C. William McCurdy

  • Department of Chemistry, The Ohio State University, Columbus, Ohio 43210

T. N. Rescigno

  • Lawrence Livermore National Laboratory, P.O. Box 808, Livermore, California 94550

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Vol. 40, Iss. 3 — August 1989

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