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Showing 1 to 2 of 2 for “"Explicitly correlated many-body methods"”.
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Efficient automated implementation of higher-order many-body methods in quantum chemistry
… models with approx- imate inclusion of 3-body clusters [J. Chem. Phys. 151, 064102 (2019)] we performed a more complete assessment of the 3CC method [J. Chem. Phys. 125, 204105 (2006)] for accurate computational thermochemistry in the standard HEAT framework. New spin- integrated …
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Exploration and Optimization of the One- and Many-particle Basis Sets in Modern Explicitly Correlated Electronic Structure
… electronic structure calculations. Despite the many development producing methods that circumvent the issue by using grids or real-space methods, the linear combination of atomic orbitals (LCAO) approach using Gaussian atomic basis sets is still the most popular method for the simplicity of the …