1 citations · 1 across the 4 of their papers we have counts for
4 papers
Is the TDDFRT representation of a molecular electronic transition unique?
Jérémy Morere, Thibaud Etienne
In this article a piece of the reference time-dependent density-functional response theory (TDDFRT) representation of molecular electronic transitions is studied through the one-bo…
Dyck language and fermionic second quantization: II. Applications
Jérémy Morere, Thibaud Etienne
In this work, we establish a direct connection between supplemented Dyck language and the signed expectation value of chains of second quantization operators relatively to the phys…
Dyck language and fermionic second quantization: I. Theory
Jérémy Morere, Thibaud Etienne
This paper proposes a novel framework connecting fermionic second quantization and Dyck languages. By defining translations of creation and annihilation operators using bracket alp…
Ensemble density functional theory of excited states: Exact N-centered formalism and practical opportunities
Lucien Dupuy, Toni Chiti, Jérémy Morere +1
Ground-state electronic structure calculations using Kohn-Sham density functional theory (KS-DFT) offer an unprecedented balance between efficiency and accuracy, now paradigmatic t…