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Ab initio quantum chemistry: Methodology and applications
This Perspective provides an overview of state-of-the-art ab initio quantum chemical methodology and applications. The methods that are discussed include coupled cluster theory, localized second-order Moller–Plesset perturbation theory, multireference perturbation approaches, and density functional...
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2005
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1100737/ https://ncbi.nlm.nih.gov/pubmed/15870212 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0408036102 |
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