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Applications of the Schwinger multichannel method with pseudopotentials to electron scattering from polyatomic molecules I. Elastic cross sections
(Sociedade Brasileira FisicaSao PauloBrasil, 2001)
Applications of the Schwinger Multichannel Method with pseudopotentials to electron scattering from polyatomic molecules II. Rotational excitation cross sections
(Sociedade Brasileira FisicaSao PauloBrasil, 2001)
Applications of the Schwinger multichannel method with pseudopotentials to electron scattering from polyatomic molecules I: elastic cross sections
(Sociedade Brasileira de Física, 2001)
Cálculos de primeiros princípios para BaO.
(Universidade Federal de São CarlosBRUFSCarPrograma de Pós-Graduação em Física - PPGF, 2005-02-28)
In this work we present first principles calculations with Density Functional Theory,
DFT, using norm-conserving pseudopotentials. Initially, we perform calculations
of structural properties for metallic barium, Ba, in the ...
Análise teórica da superfície Si(111)-(7x7)
(Universidade Federal de UberlândiaBRPrograma de Pós-graduação em FísicaCiências Exatas e da TerraUFU, 2016)
Defeitos extensos em semicondutores: discordância parcial de 90°Extensive semiconductor defects - 90 ° partial disagreement
(Universidade Federal de UberlândiaBrasilPrograma de Pós-graduação em Física, 2019)
Diseño computacional multiescala de nanomateriales y su integración en dispositivos MEMS con funcionalidad óptica
(2013-12-10)
En la presente tesis doctoral se presenta un modelo teórico de materiales con aplicación en micro-dispositivos mecano-ópticos, aplicando fundamentos de la física cuántica para el estudio de sistemas a escala atómica y ...
Experimental Compton profiles of Be, Al and Ti and comparisons to generalized gradient approximation calculations
(Elsevier, 2013-07)
Experimental analysis of isotropic Compton profiles for beryllium, aluminum and titanium was performed to assess the radial core wavefunctions and pseudo-orbitals for valence electrons generated using a generalized gradient ...
ESTUDIO AB-INITIO DE LAS PROPIEDADES ELECTRÓNICAS DE NANOESTRUCTURAS DE CARBURO DE SILICIO
(2010-01-19)
In this work we report the electronic properties of silicon carbide (SiC)
nanostructures, specifically, nanowires and nanoporous. It uses the methodology of first
principles "Ab-initio” by the theory of density functional ...