9 citations · 25 across the 9 of their papers we have counts for
10 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…
Auxiliary many-body wavefunctions for TDDFRT electronic excited states: Consequences for the representation of molecular electronic transitions
Jérémy Morere, Enzo Monino, Thibaud Etienne
This contribution reports the study of a set of molecular electronic-structure reorganization representations related to light-induced electronic transitions, modeled in the framew…
Boundary values for the charge transferred during an electronic transition: insights from matrix analysis
Enzo Monino, Jérémy Morere, Thibaud Etienne
In this contribution we start by proving and generalizing a conjecture that has been established few decades ago, relating the value of the integral of the detachment/attachment de…
Natural-orbital representation of molecular electronic transitions
Thibaud Etienne
This paper aims at introducing the formal foundations of the application of reduced density-matrix theory and Green's function theory to the analysis of molecular electronic transi…