A procedure to obtain an accurate approximate to a full CI wavefunction

DOI10.1007/BF01165347MaRDI QIDQ1381402zbMATH OpenFDO

Authors R. Carbó-Dorca, E. Besalú

Publication date 1 November 1998

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

Full work available at URL https://doi.org/10.1007/BF01165347

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

Cites work

• Definition and quantum chemical applications of nested summation symbols and logical functions: Pedagogical artificial intelligence devices for formulae writing, sequential programming and automatic parallel implementation
• Definition, mathematical examples and quantum chemical applications of nested summation symbols and logical Kronecker deltas
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• Successive Approximations by the Rayleigh-Ritz Variation Method

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