Published August 1, 1989 | Version v1
Journal article

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

  • 1. Lawrence Livermore National Laboratory, P.O. Box 808, Livermore, California 94550
  • 2. Department of Chemistry, The Ohio State University, Columbus, Ohio 43210 (USA)

Description

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/sup -/-H scattering in the radial limit suggest that this approach may provide a path to direct Monte Carlo scattering calculations on many-fermion systems

Additional details

Publishing Information

Journal Title
Physical Review, A
Journal Volume
40
Journal Issue
3
Series
Phys. Rev., A.
Journal Page Range
1297-1301
ISSN
0556-2791
CODEN
PLRAA

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
20081241
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
BOUNDARY CONDITIONS; ELECTRON-ATOM COLLISIONS; HYDROGEN; K MATRIX; MONTE CARLO METHOD; SCATTERING AMPLITUDES; WAVE FUNCTIONS
Descriptors DEC
AMPLITUDES; ATOM COLLISIONS; COLLISIONS; ELECTRON COLLISIONS; ELEMENTS; FUNCTIONS; MATRICES; NONMETALS