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

DOI10.1007/BF01166602zbMath0897.92041WikidataQ62511499 ScholiaQ62511499MaRDI QIDQ1360638

Emili Besalú, Ramon Carbo

Publication date: 19 October 1998

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

zbMATH Keywords

perturbation theoryquantum chemistrylogical functionsSlater determinantsCI wavefunctionsgeneral logical if sentencesgeneral nested do loops structuresGTO functionsnested summation symbol

Mathematics Subject Classification ID

Symbolic computation and algebraic computation (68W30) Chemistry (92E99) Computing methodologies and applications (68U99) Computational methods for problems pertaining to biology (92-08)

Related Items (12)

Generalized scalar products in Minkowski metric spaces ⋮ A study on Goldbach conjecture ⋮ Extending molecular similarity to energy surfaces: Boltzmann similarity measures and indices ⋮ A procedure to obtain an accurate approximate to a full CI wavefunction ⋮ Collective Euclidian distances and quantum similarity ⋮ Refinement of a generalized Fermat's last theorem conjecture in natural vector spaces ⋮ The general Gaussian product theorem ⋮ \(n\)-dimensional Euclidean space Gaussian enfoldment ⋮ Natural vector spaces (inward power and Minkowski norm of a natural vector, natural Boolean hypercubes) and a Fermat's last theorem conjecture ⋮ Logical Kronecker delta deconstruction of the absolute value function and the treatment of absolute deviations ⋮ Diagonal coefficient representation of density functions and quantum similarity measures ⋮ Generation of molecular fields, quantum similarity measures and related questions

Cites Work

• Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction
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