Published January 1976
| Version v1
Journal article
Convergence behavior of some multiconfiguration methods
Description
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
Additional details
Identifiers
Publishing Information
- Journal Title
- International Journal of Quantum Chemistry
- Journal Volume
- 10
- Journal Issue
- 1
- Series
- Int. J. Quant. Chem.
- Journal Page Range
- 123-134
- ISSN
- 0020-7608
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 7266256
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- BERYLLIUM; CONFIGURATION INTERACTION; HELIUM; LITHIUM; SERIES EXPANSION; WAVE FUNCTIONS
- Descriptors DEC
- ALKALI METALS; ALKALINE EARTH METALS; ELEMENTS; FUNCTIONS; METALS; NONMETALS; RARE GASES
Optional Information
- Notes
- Updated automatically by Metadata and Full-Text Enrichment Agent