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Exact non-Born-Oppenheimer wave function for the Hooke-Calogero model of the H<inf>2</inf> molecule : AA useful exact molecular model for electron correlation studies
ArticleAbstract: The Hooke-Calogero model of the H2 molecule, a four body system consisting of two protons and two elPalabras claves:Autores:Eduardo V. Ludeña, Lopez X., Ugalde J.M.Fuentes:scopusExact non-Born-Oppenheimer wave functions for three-particle Hookean systems with arbitrary masses
ArticleAbstract: A Hookean model of a three-body problem for particles with arbitrary masses and charges where two ofPalabras claves:Autores:Echevarría L., Eduardo V. Ludeña, Lopez X., Ugalde J.M.Fuentes:scopusNon-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: Non-uniqueness of density-derived molecular structure
ArticleAbstract: We consider the calculation of non-Born-Oppenheimer, nBO, one-particle densities for both electronsPalabras claves:Autores:Echevarra L., Eduardo V. Ludeña, Lopez X., Ugalde J.M.Fuentes:scopusNon-Born-Oppenheimer treatment of the H <inf>2</inf> Hookean molecule
ArticleAbstract: We show that the exact non-Born-Oppenheimer Schrödinger equation for the Hookean diatomic molecule HPalabras claves:Autores:Eduardo V. Ludeña, Lopez X., Ugalde J.M.Fuentes:scopusMeasuring the Spin-Polarization Power of a Single Chiral Molecule
ArticleAbstract:Palabras claves:alpha-helical peptides, chiral transport, single-molecule wires, spin-polarization power, spin-polarized transmissionAutores:Aragonès A.C., Díez-Pérez I., Ernesto Medina Dagger, Ferrer-Huerta M., Gimeno N., Giralt E., Mujica V., Palma J.L., Tao N., Teixidó M., Ugalde J.M.Fuentes:googlescopusModel for a biexciton in a lateral quantum dot based on exact solutions for the Hookean H<inf>2</inf> molecule. I. Theoretical aspects
ArticleAbstract: We present here a model for the non-Born-Oppenheimer description of the biexcitonic complex X2(eehh)Palabras claves:biexcitons, H molecule 2, Hookean model, lateral quantum dots, Non-Born-OppenheimerAutores:Corella-Madueño A., Echevarría L., Eduardo V. Ludeña, Lopez X., Ugalde J.M.Fuentes:scopusKinetic energy functionals: Exact ones from analytic model wave functions and approximate ones in orbital-free molecular dynamics
Book PartAbstract: We consider the problem of constructing kinetic energy functionals in density functional theory. WePalabras claves:Hookean systems, Kinetic energy functionals, Orbital-free Molecular DynamicsAutores:Eduardo V. Ludeña, Karasiev V.V., Lopez X., Ugalde J.M.Fuentes:scopus