Efficient Computation of Two-Electron Reduced Density Matrices via Selected Configuration Interaction

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Coe, Jeremy P., Moreno Carrascosa, Andrés, Simmermacher, Mats, Kirrander, Adam, Paterson, Martin J.. 2022-10-05. Efficient Computation of Two-Electron Reduced Density Matrices via Selected Configuration Interaction. https://doi.org/10.1021/acs.jctc.2c00738

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