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most citedDensity-Matrix Embedding Based Multi-Configurational Perturbation Theory Approach to Single-Ion Magnets

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physics.chem-ph2026

State-Averaged Density Matrix Embedding Theory for Local Excitations

Zhe-Bin Guan, Hong Jiang

Density matrix embedding theory (DMET) provides an elegant framework in quantum chemistry to describe local properties of chemical systems that allows a high-level method being use…