CONVERGENT ITERATIVE METHODS FOR THE HARTREE EIGENPROBLEM

Authors
Citation
G. Auchmuty et Wy. Jia, CONVERGENT ITERATIVE METHODS FOR THE HARTREE EIGENPROBLEM, Modelisation mathematique et analyse numerique, 28(5), 1994, pp. 575-610
Citations number
23
Categorie Soggetti
Mathematics,Mathematics
ISSN journal
0764583X
Volume
28
Issue
5
Year of publication
1994
Pages
575 - 610
Database
ISI
SICI code
0764-583X(1994)28:5<575:CIMFTH>2.0.ZU;2-J
Abstract
This paper develops some new variational principles for the solutions of Hartree eigenproblems and uses these characterizations to describe convergent iterative algorithms for these problems. This is done first for-helium and then for general atoms and molecules. The variational principles involve minimizing separately convex functionals over the p roduct of convex sets. By minimizing in different variables at each st ep, we are led to descent methods where at each step there is a strict ly convex problem with a unique solution. The resulting sequence is sh own to converge to a solution of the Hartree eigenproblem.