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Efficient Treatment of Correlation Energies at the Basis-Set Limit by Monte Carlo Summation of Continuum States
[Image: see text] The calculation of electron correlation is vital for the description of atomistic phenomena in physics, chemistry, and biology. However, accurate wavefunction-based methods exhibit steep scaling and often sluggish convergence with respect to the basis set at hand. Because of their...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7584365/ https://www.ncbi.nlm.nih.gov/pubmed/32915565 http://dx.doi.org/10.1021/acs.jctc.0c00724 |