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20222025
most citedA unified density-matrix functional construction of quantum baths in density matrix embedding theory beyond the mean-field approximation

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physics.chem-ph2025

A State-Specific Iterative Decoupling Scheme Based on Perturbation Theory for Low-Energy Electronic States

Oussama Bindech, Saad yalouz, Vincent Robert

In this work, we introduce a selective and scalable extension of the multi-step Rayleigh-Schrodinger and Brillouin-Wigner perturbative scheme (see arXiv:2408.16505), designed to ef…