A new algorithm for path exploration in photoelectron diffraction

Citation
M. Gavaza et D. Sebilleau, A new algorithm for path exploration in photoelectron diffraction, SURF SCI, 482, 2001, pp. 1463-1467
Citations number
11
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
SURFACE SCIENCE
ISSN journal
00396028 → ACNP
Volume
482
Year of publication
2001
Part
2
Pages
1463 - 1467
Database
ISI
SICI code
0039-6028(20010620)482:<1463:ANAFPE>2.0.ZU;2-X
Abstract
We propose here a systematic and straightforward way to include point-group symmetries into the theory of photoelectron diffraction. In addition to re ducing the number of scattering path operators that have to be calculated, this approach permits as well as to derive a new algorithm to minimize the number of paths that have to be explored in the series expansion cluster me thod by making use of path degeneracies. (C) 2001 Elsevier Science B.V. All rights reserved.