ISSN:
0020-7608
Schlagwort(e):
Chemistry
;
Theoretical, Physical and Computational Chemistry
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
We analyze the divergent contributions to the Hamiltonian for extended, nonmetallic systems in one dimension, to both the ground-state correlation energy and to the correlated band structure. It is shown that the 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 lattice summations. Therefore, it is well justified to neglect such contributions in higher order many-body perturbation theory or coupled cluster treatments of the electronic structure for polymers. © 1997 John Wiley & Sons, Inc.
Zusätzliches Material:
4 Ill.
Materialart:
Digitale Medien
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