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Article(3)
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Journal of Mathematical Chemistry(3)
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A procedure to obtain an accurate approximation to a full CI wavefunction
ArticleAbstract: Based on Jacobi elementary rotations, a simple, elegant procedure to obtain approximate CI wavefunctPalabras claves:Autores: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:scopusOn quantum molecular similarity measures (QMSM) and indices (QMSI)
ArticleAbstract: Quantum molecular similarity measures (QMSM) and the possibility to construct a discrete n-dimensionPalabras claves:Autores:Amat L., Besalu E., Fradera X., Ramón Carbö-D̈orcaFuentes:scopus