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An iterative method to solve the algebraic eigenvalue problem
ArticleAbstract: An iterative method based on perturbation theory in matrix form is described as a procedure to obtaiPalabras claves:Autores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopusDefinition, mathematical examples and quantum chemical applications of nested summation symbols and logical Kronecker deltas
ArticleAbstract: Two mathematical symbols are introduced and their applications to computational chemistry and to artPalabras claves:Autores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopusExtended Sobolev and Hilbert spaces and approximate stationary solutions for electronic systems within the non-linear Schrödinger equation
ArticleAbstract: The definition of Sobolev spaces, which has already been shown to be a convenient way to set up thePalabras claves:Extended Hilbert spaces, Kinetic energy distribution, N-electron wavefunctions, Nested sums formalism, Non-linear Schrödinger equation, Quantum self-similarity measures, Sobolev spacesAutores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopusExtending molecular similarity to energy surfaces: Boltzmann similarity measures and indices
ArticleAbstract: Maxwell-Boltzmann statistics provides the adequate mathematical background allowing to define similaPalabras claves:Autores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopusEMP as a similarity measure: A geometric point of view
ArticleAbstract: Soft Coulomb potentials constructed by multiplying the classical potential by a Gaussian function (oPalabras claves:Density functions origin shift, Electrostatic molecular potentials (EMP), Similarity integrals, Soft coulomb potentials, Soft EMP, Soft EMP origin shiftAutores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopusNested 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: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:scopusStereographic projection of density functions (DF) and the Holographic Electronic Density Theorem (HEDT)
ArticleAbstract: Mezey's holographic electronic density theorem is discussed from the point of view of stereographicPalabras claves:Autores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopus