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
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.