ANALYSIS OF LONG-RANGE EFFECTS IN MANY-BODY CORRELATION APPROACHES FOR ONE-DIMENSIONAL PERIODIC-SYSTEMS

Citation
M. Nooijen et Rj. Bartlett, ANALYSIS OF LONG-RANGE EFFECTS IN MANY-BODY CORRELATION APPROACHES FOR ONE-DIMENSIONAL PERIODIC-SYSTEMS, International journal of quantum chemistry, 63(3), 1997, pp. 601-614
Citations number
36
Categorie Soggetti
Chemistry Physical
ISSN journal
00207608
Volume
63
Issue
3
Year of publication
1997
Pages
601 - 614
Database
ISI
SICI code
0020-7608(1997)63:3<601:AOLEIM>2.0.ZU;2-6
Abstract
We analyze the divergent contributions to-the Hamiltonian for extended , nonmetallic systems in one dimension, to both the ground-state corre lation energy and to the correlated band structure. It is shown that t he contribution from the long-range divergent part of the Hamiltonian tends to zero as 1/M-2, where M is the extent of the troublesome latti ce summations. Therefore, it is well justified to neglect such contrib utions in higher order many-body perturbation theory or coupled cluste r treatments of the electronic structure for polymers. (C) 1997 John W iley & Sons, Inc.