Modification de Demande de création du GDR (septembre 2018)
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Method and the Full Configuration Interaction Quantum Monte Carlo within a Super-CI | Method and the Full Configuration Interaction Quantum Monte Carlo within a Super-CI | ||
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Computation 12, 1245 (2016). | Computation 12, 1245 (2016). | ||
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death, and annihilation in Slater determinant space, Journal of Chemical Physics 131, 054106 | death, and annihilation in Slater determinant space, Journal of Chemical Physics 131, 054106 | ||
6(2009). | 6(2009). | ||
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quantum Monte Carlo calculations, Canadian Journal of Chemistry 91, 879 (2013). | quantum Monte Carlo calculations, Canadian Journal of Chemistry 91, 879 (2013). | ||
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[7] A. A. Holmes, N. M. Tubman, C. J. Umrigar, Heat-Bath Configuration Interaction: An Efficient | [7] A. A. Holmes, N. M. Tubman, C. J. Umrigar, Heat-Bath Configuration Interaction: An Efficient | ||
Selected Configuration Interaction Algorithm Inspired by Heat-Bath Sampling, Journal of Chemical | Selected Configuration Interaction Algorithm Inspired by Heat-Bath Sampling, Journal of Chemical | ||
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the second-order perturbative contribution of multireference perturbation theory, Journal of | the second-order perturbative contribution of multireference perturbation theory, Journal of | ||
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[9] M. Rupp, Machine Learning for Quantum Mechanics in a Nutshell, International Journal of | [9] M. Rupp, Machine Learning for Quantum Mechanics in a Nutshell, International Journal of | ||
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[10] J. P. Coe, Machine Learning Configuration Interaction, arXiv:1808.05787. | [10] J. P. Coe, Machine Learning Configuration Interaction, arXiv:1808.05787. | ||
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[12] Q. Sun, G. K.-L. Chan, Quantum Embedding Theories, Accounts of Chemical Research 49, | [12] Q. Sun, G. K.-L. Chan, Quantum Embedding Theories, Accounts of Chemical Research 49, | ||
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wave-function theory using density-functional theory: a systematically improvable approach, | wave-function theory using density-functional theory: a systematically improvable approach, | ||
arXiv:1809.01466 | arXiv:1809.01466 | ||
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[15] R. Assaraf, S. Moroni, C. Filippi, Optimizing the Energy with Quantum Monte Carlo: A Lower | [15] R. Assaraf, S. Moroni, C. Filippi, Optimizing the Energy with Quantum Monte Carlo: A Lower | ||
Numerical Scaling for Jastrow-Slater Expansions, Journal of Chemical Theory and Computation | Numerical Scaling for Jastrow-Slater Expansions, Journal of Chemical Theory and Computation |