An improved SCF iteration scheme

DOI10.1016/0097-8485(88)85022-8zbMATH Open0638.65043OpenAlexW2019137491MaRDI QIDQ3779673FDOQ3779673

Piotr Badziąg, Fritz Solms

Publication date: 1988

Published in: Computers & Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0097-8485(88)85022-8

Recommendations

• An improved form of the spectral iteration technique
• An improvement to the fixed point iterative method
• An improved algorithm for the iterative refinement method
• A Modified Iterative Refinement Scheme
• scientific article; zbMATH DE number 1839702
• An improvement of the Euler-Chebyshev iterative method
• Improving Jacobi and Gauss-Seidel iterations
• Efficient Implementations of Certain Iterative Methods
• Improved distributed algorithms for SCC decomposition
• Improving the order of convergence of iteration functions

zbMATH Keywords

convergencequantum chemical calculationsdiamond and silicon surfaceslarge atomic clustersMNDO-program packageSCF iteration scheme

Mathematics Subject Classification ID

Numerical computation of solutions to systems of equations (65H10) Electromagnetic interaction; quantum electrodynamics (81V10)

Cited In (1)

• Title not available (Why is that?)

This page was built for publication: An improved SCF iteration scheme

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q3779673)