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Basis set dependent SCα exchange-only and exchange-correlation calculations
ArticleAbstract: The basis set dependent SCα approximation was applied to the LDA, PW91, and B1x exchange functionalPalabras claves:Autores:Eduardo V. Ludeña, Gonzalez C.A., González I., Hernandez A.J., Karasiev V.V.Fuentes:scopusA Finite B-Spline Basis Set for Accurate Diatomic Molecule Calculations
ArticleAbstract: A finite basis set particularly adapted for solving the Hartree-Fock equation for diatomic moleculesPalabras claves:B-spline basis set, Diatomic molecule calculationsAutores:Artemyev A., Eduardo V. Ludeña, Hernandez A.J., Karasiev V.V.Fuentes:scopusA density functional theory test study on the N<inf>2</inf>⋯He dimer
ArticleAbstract: In the present contribution we report a study of the weakly bound van der Waals N2-He molecule in thPalabras claves:density functional theory, Energy surface, Van der WaalsAutores:Eduardo V. Ludeña, Hernandez A.J., José Luis Paz, Manzanares I C., Salazar M.C.Fuentes:scopusDensity functional theory test study on the CO ···· He dimer
ArticleAbstract: In the current paper we have investigated the bonding properties of the weakly bound van der Waals CPalabras claves:Ab initio, CO-He, density, functional, Van der WaalsAutores:Eduardo V. Ludeña, Hernandez A.J., José Luis Paz, Manzanares I C., Salazar M.C.Fuentes:scopusAb initio basis set study of the CO···He van der Waals interaction
Conference ObjectAbstract: The ab initio potential energy surface for the weakly bound van der Waals CO···He has been performedPalabras claves:Ab-initio calculations, Carbon monoxide, Van der WaalsAutores:Hernandez A.J., José Luis Paz, Salazar M.C.Fuentes:scopusErratum: Basis set dependent SCα exchange-only and exchange-correlation calculations (J. Chem. Phys. (2003) 118 (8161))
OtherAbstract:Palabras claves:Autores:Eduardo V. Ludeña, Gonzalez C.A., González I., Hernandez A.J., Karasiev V.V.Fuentes:scopusEffect of inhomogeneous line broadening due to molecular collisions on a two-level system interacting with a high-intensity electromagnetic field
ArticleAbstract: In this work, we present a formalism to study the optical properties on a two-level molecular systemPalabras claves:Inhomogeneous line, Optical Bloch equationsAutores:Gorayeb M., Hernandez A.J., José Luis PazFuentes:scopusEffects of solute concentration, field intensity and spectral inhomogeneous broadening on four-wave mixing
ArticleAbstract: The effect of an intense pump field and the chemical concentration of the solution on the forward foPalabras claves:Autores:Cárdenas A.E., Hernandez A.J., José Luis PazFuentes:scopusEffects of the dipole moments behavior on a vibronic coupling model for the four-wave mixing signal
ArticleAbstract: In the present work, we have studied modifications in the transition and permanent dipole moments ofPalabras claves:Dipole moments, FWM signal, Vibronic couplingAutores:Cusati T., Hernandez A.J., José Luis PazFuentes:scopusMolecular orbital calculations of the dissociative adsorption of a hydrogen molecule on a 14 atom nickel cluster
ArticleAbstract: MINDO/SR molecular orbital calculations have been performed for the Ni14H2 system in order to studyPalabras claves:Autores:Eduardo V. Ludeña, Hernandez A.J., Ruette F.Fuentes:scopus