Accuracy of Noncovalent Interactions Involving d-Elements by the 1-Determinant Fixed-Node Diffusion Monte Carlo Method with Effective Core Potentials
Kolesár Vladimír  Dubecký Matúš ; 067000
Journal of chemical theory and computation . Vol. 19, iss. 4 (2023), s. 1170-1176
electron correlation density errors energy SET
https://pubs.acs.org/doi/10.1021/acs.jctc.2c00872
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