Homeier, Herbert H. H. (1996) On convergence acceleration for the iterative solution of the inverse Dyson equation. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 368. pp. 81-91. ISSN 0166-1280
Full text not available from this repository.Abstract
The convergence properties of the iterative solution of the inverse Dyson equation for quasi-particle corrections to HF energy eigenvalues have been discussed recently (W. Forner, J. Comput. Phys., 125 (1996) 477). There, it has been shown that the iteration converges if the largest pole strength is larger than 1/2, and that there are cases where the convergence is relatively slow. Here, we show for some examples that the convergence can be accelerated considerably using the Overholt process (K.J. Overholt, BIT, 5 (1965) 122).
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | COUPLED-CLUSTER THEORY; LOCALIZED ORBITALS; POLYMERS; CHAIN; quantum chemistry; quasi-particle correction; inverse Dyson equation; tight-binding model; Green function; convergence acceleration; Overholt process |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 22 Jun 2023 10:27 |
| Last Modified: | 22 Jun 2023 10:27 |
| URI: | https://pred.uni-regensburg.de/id/eprint/51472 |
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