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3 papers
Polaritonic Coupled-Cluster Theory
Uliana Mordovina, Callum Bungey, Heiko Appel +3
We develop coupled-cluster theory for systems of electrons strongly coupled to photons, providing a promising theoretical tool in polaritonic chemistry with a perspective of applic…
Self-Consistent Density-Functional Embedding: a Novel Approach for Density-Functional Approximations
Uliana Mordovina, Teresa E. Reinhard, Iris Theophilou +2
In the present work, we introduce a Self-Consistent Density-Functional Embedding technique, which leaves the realm of standard energy-functional approaches in Density Functional Th…
Density-matrix embedding theory study of the one-dimensional Hubbard-Holstein model
Teresa E. Reinhard, Uliana Mordovina, Claudius Hubig +5
We present a density-matrix embedding theory (DMET) study of the one-dimensional Hubbard-Holstein model, which is paradigmatic for the interplay of electron-electron and electron-p…