An improved SCF iteration scheme

DOI10.1016/0097-8485(88)85022-8MaRDI QIDQ3779673zbMATH OpenOpenAlexFDO

Authors 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

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)

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

Cited in

(2)

• On one-point iterations and DIIS
• scientific article; zbMATH DE number 1569048 (Why is no real title available?)

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)