Computing a molecule: A mathematical viewpoint

DOI10.1023/A:1019197613932zbMath0890.92026OpenAlexW102624859MaRDI QIDQ1381241

Claude Le Bris, Mireille Defranceschi

Publication date: 22 June 1998

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

Full work available at URL: https://doi.org/10.1023/a:1019197613932

zbMATH Keywords

quantum chemistryoverviewHartree-Fock type modelsThomas-Fermi type models

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08)

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