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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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| 主要な著者: | , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2010
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| 主題: | |
| オンライン･アクセス: | 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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