✦ LIBER ✦
Analysis of long-range effects in many-body correlation approaches for one-dimensional periodic systems
✍ Scribed by Marcel Nooijen; Rodney J. Bartlett
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 221 KB
- Volume
- 63
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
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 1rM y2 , 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.