Mostrando 10 resultados de: 11
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Journal of Chemical Physics(3)
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Química teórica(6)
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A Chirality-Based Quantum Leap
ReviewAbstract: There is increasing interest in the study of chiral degrees of freedom occurring in matter and in elPalabras claves:chiral imprinting, chirality, Electron transport, photoexcitation, probe microscopy, quantum biology, quantum information, quantum materials, spintronicsAutores:Abbas M., Abendroth J.M., Afanasev A., Agarwal S., Aiello C.D., Alexander Lopez, Banerjee A.S., Belling J.N., Beratan D.N., Berche B., Botana A., Caram J.R., Celardo G.L., Cuniberti G., Dianat A., Díez-Pérez I., Ernesto Medina Dagger, Garcia-Etxarri A., Guo Y., Gutierrez R., Herrmann C., Hihath J., Kale S., Kurian P., Lai Y.C., Liu T., Mujica V., Naaman R., Noormandipour M., Palma J.L., Paltiel Y., Petuskey W., Ribeiro-Silva J.C., Saenz J.J., Santos E.J.G., Solmar Varela, Solyanik-Gorgone M., Sorger V.J., Stemer D.M., Ugalde J.M., Valdes-Curiel A., Waldeck D.H., Wang Q.H., Wasielewski M.R., Weiss P.S., Zacharias H.Fuentes:googlescopusA reinterpretation of the nature of the Fermi hole
ArticleAbstract: A reinterpretation of the Boyd-Coulson definition of the Fermi hole in order to remove from it the rPalabras claves:Autores:Eduardo V. Ludeña, Lopez X., Ramírez G., Rico J., Ugalde J.M.Fuentes:scopusExtracular densities of the non-Born-Oppenheimer Hookean H<inf>2</inf> molecule
ArticleAbstract: The exact nuclear and electronic extracular non-Born-Oppenheimer density functions and their associaPalabras claves:Autores:Eduardo V. Ludeña, Lopez X., Ugalde J.M.Fuentes:scopusExact 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: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:scopusMagnetoresistive Single-Molecule Junctions: the Role of the Spinterface and the CISS Effect
ReviewAbstract: This review is an effort in putting together the latest results about room-temperature magnetoresistPalabras claves:Autores:Aragonès A.C., Aravena D., Díez-Pérez I., Ernesto Medina Dagger, Gutierrez R., Mujica V., Ruiz E., Ugalde J.M.Fuentes:googlescopusMeasuring 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: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:scopus