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Divide-and-Conquer Hartree-Fock Calculations on Proteins
The ability to perform ab initio electronic structure calculations that scales linearly with the system size is one of the central aims in theoretical chemistry. In this study, the implementation of the divide-and-conquer (DC) algorithm, an algorithm with the potential to aid the achievement of true...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2853773/ https://ncbi.nlm.nih.gov/pubmed/20401160 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct9006635 |
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