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Nested summation symbols and perturbation theory
ArticleAbstract: A new mathematical concept, the nested summation symbol (NSS) has been developed. This concept is atPalabras claves:Autores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopusMathematical aspects of the LCAO MO first order density function (4): A discussion on the connection of Taylor series expansion of electronic density (TSED) function with the holographic electron density theorem (HEDT) and the Hohenberg-Kohn theorem (HKT)
ArticleAbstract: Taylor series expansion of electronic density (TSED) functions are set up in order to propose them aPalabras claves:Hohenberg-Kohn theorem (HKT), Holographic electron density theorem (HEDT), Taylor series of electronic density (TSED)Autores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopusShells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces
ArticleAbstract: This study provides an as complete as possible set of precise definitions, within the mathematics dePalabras claves:Generalized cosine of a point cloud, Generalized scalar products, Point cloud huts, Point clouds, Quantum Similarity, Shells in vector semispaces, Tensorial representation of molecules, vector semispacesAutores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopusRayleigh-Schrödinger perturbation theory in matrix form
ArticleAbstract:Palabras claves:Autores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopusRayleigh-schrödinger perturbation theory: Practical implementation of matrix and vector formalisms and description of an heuristic sufficiency convergence criterion
ArticleAbstract: Starting from previous work, where Rayleigh-Schrödinger perturbation theory has been reformulated inPalabras claves:Autores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopusn-Dimensional Euclidean space Gaussian enfoldment
ArticleAbstract: In this study Euclidean space is enfolded with Gaussian functions of various orders. A simple analysPalabras claves:Generalized harmonic oscillator wave functions, Multivariate Gaussian functions, n-Dimensional Euclidean space Gaussian enfoldment, Quantum chemistry in ∞-dimensional LCAO MO frameworkAutores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopusThe general Gaussian product theorem
ArticleAbstract: The Gaussian Product Theorem between two 1s Gaussian Type Orbitals (GTOs) is extended to an arbitrarPalabras claves:Cartesian GTO angular part, Gaussian type orbital (GTO) functions product, General GTO product theorem (GGPT), Nested summation symbolsAutores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopus