Polarization Molecular Physics
Mostrando 1-4 de 4 artigos, teses e dissertações.
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1. Calculations Properties Elements of Methanol Molecule Including Vibrational Corrections Correlation and Electronic / Calculos de Propriedades Eletricas da Molecula de Metanol Incluindo Correções Vibracionais e Correlação Eletrônica
In this work we report results for the polarizability, and rst and second hyperpolarizabilities of the methanol molecule including vibrational corrections and electron correlation eects. The Vibrational corrections were computed using the perturbation theoretic approach of Bishop and Kirtman and the electron correlation eects were taken into account through
Publicado em: 2009
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2. Calculos de Propriedades Eletricas da Molecula de Metanol Incluindo Correções Vibracionais e Correlação Eletrônica / Calculations Properties Elements of Methanol Molecule Including Vibrational Corrections Correlation and Electronic
In this work we report results for the polarizability, and rst and second hyperpolarizabilities of the methanol molecule including vibrational corrections and electron correlation eects. The Vibrational corrections were computed using the perturbation theoretic approach of Bishop and Kirtman and the electron correlation eects were taken into account through
Publicado em: 2009
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3. Calculos de Propriedades Eletricas da Molecula de Metanol Incluindo Correções Vibracionais e Correlação Eletrônica / Calculations Properties Elements of Methanol Molecule Including Vibrational Corrections Correlation and Electronic
Neste trabalho apresentamos resultados para a polarizabilidade e para a primeira e segunda hiperpolarizabilidades da molecula de metanol incluindo correções vibracionais e efeitos de correlação eletrônica. As correções vibracionais foram calculadas usando a aproximação de perturbação teorica de Bishop e Kirtman e os efeitos de correlação eletrô
Publicado em: 2009
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4. Polarização do alvo molecular no espalhamento de eletrons / Polarization of molecular target in electron scattering
The aim of this work is the inclusion of polarization effects in the calculations of scattering cross section by using model potentials. The implementation was made in the Schwinger multichannel method with pseudopotentials, using a description of polarization potential with gaussians functions. With this potential we entend to reduce the computational cost
Publicado em: 2007