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Electronic excited states in deep variational Monte Carlo
Obtaining accurate ground and low-lying excited states of electronic systems is crucial in a multitude of important applications. One ab initio method for solving the Schrödinger equation that scales favorably for large systems is variational quantum Monte Carlo (QMC). The recently introduced deep Q...
Autores principales: | Entwistle, M. T., Schätzle, Z., Erdman, P. A., Hermann, J., Noé, F. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9845370/ https://www.ncbi.nlm.nih.gov/pubmed/36650151 http://dx.doi.org/10.1038/s41467-022-35534-5 |
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