Efficient hybrid-symbolic methods for quantum mechanical calculations

DOI10.1016/j.cpc.2015.02.009zbMath1344.81028OpenAlexW2031015019MaRDI QIDQ311842

Mohammad Hasan, M. Dambrine

Publication date: 13 September 2016

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2015.02.009

zbMATH Keywords

quantum chemistryMapleMatlabsymbolic manipulationScilabbasis setsefficient code generationmacrofort

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to quantum theory (81-04) Molecular physics (81V55)

Related Items (1)

\(\Psi\)-model of micro- and macrosystems

Uses Software

• Maple
• Matlab
• Scilab
• MOLPRO
• MPACK
• EVAN

Cites Work

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• On location and approximation of clusters of zeros of analytic functions
• Hydrogen atom in a spherical well: linear approximation
• Successive Approximations by the Rayleigh-Ritz Variation Method

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