Convergence behavior of some multiconfiguration methods
Journal Article
·
· International Journal of Quantum Chemistry
The optimization scheme of the ''multiconfiguration method based on the generalized Brillouin theorem'' (MCGBT) has been analyzed and found to converge quadratically. Its rate of convergence has been compared with that of other optimization methods such as the first-order Rayleigh--Schroedinger perturbation, the steepest descent, the single vector diagonalization, the Newton--Raphson, and the conventional SCF method. The convergence of the MCGBT scheme has been found to be superior to the convergence of the above mentioned schemes.
- Research Organization:
- Univ. of New Brunswick, Frederiction
- Sponsoring Organization:
- USDOE
- NSA Number:
- NSA-33-031208
- OSTI ID:
- 4019477
- Journal Information:
- International Journal of Quantum Chemistry, Journal Name: International Journal of Quantum Chemistry Journal Issue: 1 Vol. 10; ISSN 0020-7608
- Publisher:
- Wiley
- Country of Publication:
- United States
- Language:
- English
Similar Records
Loadflow solution by applying hybrid algorithm to the Newton-Raphson method
Multiconfigurational perturbation theory
Convergence Properties of the Regularized Newton Method for the Unconstrained Nonconvex Optimization
Conference
·
Sun Dec 31 23:00:00 EST 1989
· Proceedings of the American Power Conference; (United States)
·
OSTI ID:6174457
Multiconfigurational perturbation theory
Thesis/Dissertation
·
Tue Dec 31 23:00:00 EST 1991
·
OSTI ID:7013746
Convergence Properties of the Regularized Newton Method for the Unconstrained Nonconvex Optimization
Journal Article
·
Sun Aug 15 00:00:00 EDT 2010
· Applied Mathematics and Optimization
·
OSTI ID:21480262
Related Subjects
*BERYLLIUM-- BRILLOUIN THEOREM
*HELIUM-- BRILLOUIN THEOREM
*LITHIUM- - BRILLOUIN THEOREM
640305* --Physics Research--Atomic
Molecular & Chemical Physics--Atomic & Molecular Theory
CONFIGURATION INTERACTION
N60500* --Physics (Atomic & Molecular)--Atomic Theory
N76100 --Physics (Theoretical)--General
SERIES EXPANSION
WAVE FUNCTIONS
*HELIUM-- BRILLOUIN THEOREM
*LITHIUM- - BRILLOUIN THEOREM
640305* --Physics Research--Atomic
Molecular & Chemical Physics--Atomic & Molecular Theory
CONFIGURATION INTERACTION
N60500* --Physics (Atomic & Molecular)--Atomic Theory
N76100 --Physics (Theoretical)--General
SERIES EXPANSION
WAVE FUNCTIONS