OPTIMIZATION OF ORBITALS DISTRIBUTION AND GAUSSIAN PRIMITIVES PARAMETERIZATION TO HARTREE-FOCK MODEL BY EVOLUTIONARIES ALGORITHMS
CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO === O desenvolvimento da Nanociência e da Nanotecnologia dependem em grande parte do avanço da Química Computacional. Nesse contexto, um dos conceitos mais importantes é o conjunto de funções de base. Essas são combinações lineares de fun...
Main Author: | IURY STEINER DE OLIVEIRA BEZERRA |
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Other Authors: | MARCO AURÉLIO CAVALCANTI PACHECO |
Language: | Portuguese |
Published: |
PONTIFÍCIA UNIVERSIDADE CATÓLICA DO RIO DE JANEIRO
2009
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Online Access: | http://www.maxwell.vrac.puc-rio.br/Busca_etds.php?strSecao=resultado&nrSeq=14988@1 http://www.maxwell.vrac.puc-rio.br/Busca_etds.php?strSecao=resultado&nrSeq=14988@2 |
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