Error bounds for the nonrelativistic electronic ground state energy of molecular hydrogen

DOI10.1007/BF01164845zbMath0902.92025OpenAlexW2008353166MaRDI QIDQ1360621

O. Diekmann

Publication date: 7 December 1998

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/bf01164845

zbMATH Keywords

Hamiltoniansintegral solutionschoice of coordinate systeminterval calculationsupper bound calculations

Mathematics Subject Classification ID

Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• Stable and efficient algorithm for selected eigenvalues and eigenvectors of the general symmetric eigenproblem
• Development of non-linear transformations for improving convergence of sequences
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