Published February 1, 1990 | Version v1
Journal article

Variational expressions for first-order properties involving continuum wave functions

  • 1. Department of Applied Science, University of California-Davis, Livermore, California 94550 (USA)
  • 2. Lawrence Livermore National Laboratory, P.O. Box 808, Livermore, California 94550 (USA)

Description

We discuss methods for computing first-order matrix elements involving continuum wave functions variationally. Specifically, we show that the trial wave function obtained from the Kohn method will give a variational result for any first-order property. We also discuss a variational technique for computing the squared modulus of a first-order matrix element based on approximating the resolvent. We explain why the resolvent method will converge more slowly in certain cases and illustrate our remarks with calculations on a model problem

Additional details

Publishing Information

Journal Title
Physical Review, A
Journal Volume
41
Journal Issue
3
Series
Phys. Rev., A.
Journal Page Range
1695-1697
ISSN
0556-2791
CODEN
PLRAA

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
21055038
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ELECTRON-MOLECULE COLLISIONS; POTENTIAL SCATTERING; VARIATIONAL METHODS; VERIFICATION; WAVE FUNCTIONS
Descriptors DEC
COLLISIONS; ELASTIC SCATTERING; ELECTRON COLLISIONS; FUNCTIONS; MOLECULE COLLISIONS; SCATTERING