A SUBROUTINE PACKAGE FOR COMPUTING GREEN-FUNCTIONS OF RELAXED SURFACES BY THE RENORMALIZATION METHOD

Authors
HENK J SCHATTKE W
Citation
J. Henk et W. Schattke, A SUBROUTINE PACKAGE FOR COMPUTING GREEN-FUNCTIONS OF RELAXED SURFACES BY THE RENORMALIZATION METHOD, Computer physics communications, 77(1), 1993, pp. 69-83
Citations number
13
Categorie Soggetti
Mathematical Method, Physical Science","Computer Applications & Cybernetics","Physycs, Mathematical
Journal title
Computer physics communications → ACNP
ISSN journal
00104655
Volume
77
Issue
1
Year of publication
1993
Pages
69 - 83
Database
ISI
SICI code
0010-4655(1993)77:1<69:ASPFCG>2.0.ZU;2-R
Abstract
We present a subroutine package for the computation of Green's functio ns of relaxed surfaces and the bulk within the framework of a tight-bi nding basis. The application of a highly convergent renormalization sc heme allows treatment of large unit cells and may include spin-orbit i nteraction in a suitable parametrization. The onedimensional semi-infi nite solid is solved analytically and serves as a testing example.