Matúš Dubecký opublikoval ve spolupráci se zahraničními kolegy nový článek!

Unveiling hidden dynamic correlations in CASSCF correlation energies by Hartree–Fock nodes Odkaz zde: https://doi.org/10.1063/5.0223733 Abstrakt: We have recently introduced an original method for sharply partitioning the correlation energy into dynamic and non-dynamic contributions. This method is based on the node of the Hartree–Fock (HF) Slater determinant and the stochastic projector fixed-node diffusion Monte Carlo (FNDMC)…