Detalhes bibliográficos
| Ano de defesa: |
2015 |
| Autor(a) principal: |
Mello, Victor Giovanni Pina de
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| Orientador(a): |
Silva, Ladir Cândido da
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| Banca de defesa: |
Silva, Ladir Cândido da,
Prataviera, Gilberto Aparecido,
Almeida, Norton Gomes de |
| Tipo de documento: |
Dissertação
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| Tipo de acesso: |
Acesso aberto |
| Idioma: |
por |
| Instituição de defesa: |
Universidade Federal de Goiás
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| Programa de Pós-Graduação: |
Programa de Pós-graduação em Fisica (IF)
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| Departamento: |
Instituto de Física - IF (RG)
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| País: |
Brasil
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| Palavras-chave em Português: |
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| Palavras-chave em Inglês: |
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| Área do conhecimento CNPq: |
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| Link de acesso: |
http://repositorio.bc.ufg.br/tede/handle/tede/4940
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Resumo: |
In this dissertation, we use the information theory to obtain the correlation energy of small lithium clusters. Unlike conventional methods for calculation of the correlation energy, the method used here requires only a single calculation in a Hartree-Fock level. With this calculation we obtain a total information energy of the clusters, through the addition of information energy of each atom of the cluster. The correlation energy is a bilinear function of the information energy and number of electrons in the cluster. In order to obtain a general equation for the correlation energy, we use the correlation energy expression that has been obtained through the information theory to t the exact energy of the system using a Monte Carlo quantum simulation of clusters ranging from 1 to 8 lithium atoms. The e ciency of the general equation for the correlation energy has been veri ed through the calculation of the binding energy for clusters of up to 9 and 10 atoms which have not been used in the obtained t. The obtained values for the binding energies are in good agreement with the experimental measurements using photoelectron spectroscopy. |
