5 citations · 10 across the 3 of their papers we have counts for
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cond-mat.str-el2023★ 2 cited
A versatile unitary transformation framework for an optimal bath construction in density-matrix based quantum embedding approaches
Quentin Marécat, Matthieu Saubanère
The performance of embedding methods is directly tied to the quality of the bath orbitals construction. In this paper, we develop a versatile framework, enabling the investigation…
cond-mat.str-el2023★ 5 cited
Unitary transformations within density matrix embedding approaches: A novel perspective on the self-consistent scheme for electronic structure calculation
Quentin Marécat, Benjamin Lasorne, Emmanuel Fromager +1
In this work, we introduce an original self-consistent scheme based on the one-body reduced density matrix () formalism. A significant feature of this methodology is the utiliza…