40 citations · 110 across the 11 of their papers we have counts for
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physics.chem-ph2024★ 2 cited
Time-Reversal Symmetry in RDMFT and pCCD with Complex-Valued Orbitals
Mauricio Rodríguez-Mayorga, Pierre-François Loos, Fabien Bruneval +1
Reduced density matrix functional theory (RDMFT) and coupled cluster theory restricted to paired double excitations (pCCD) are emerging as efficient methodologies for accounting fo…
physics.chem-ph2024
From many-body ab initio to effective excitonic models: a versatile mapping approach including environmental embedding effects
Mauricio Rodríguez-Mayorga, Xavier Blase, Ivan Duchemin +1
We present an original multi-state projective diabatization scheme based on the Green's function formalism that allows the systematic mapping of many-body ab initio calculations on…