55 citations · 175 across the 8 of their papers we have counts for
9 papers · 1 filter
Transcorrelated Random-Phase Approximation
Abdallah Ammar, Enzo Monino, Anthony Scemama +2
We extend the random-phase approximation (RPA) to the non-Hermitian transcorrelated (TC) Hamiltonian, which explicitly includes three-body interactions generated by a Jastrow corre…
QCMATH: Mathematica modules for electronic structure calculations
Enzo Monino, Antoine Marie, Pierre-François Loos
We introduce \textsc{qcmath}, a user-friendly quantum chemistry software tailored for electronic structure calculations, implemented using the Wolfram Mathematica language and avai…
Connections and performances of Green's function methods for charged and neutral excitations
Enzo Monino, Pierre-François Loos
In recent years, Green's function methods have garnered considerable interest due to their ability to target both charged and neutral excitations. Among them, the well-established…
Connections between many-body perturbation and coupled-cluster theories
Raúl Quintero-Monsebaiz, Enzo Monino, Antoine Marie +1
Here, we build on the works of Scuseria (et al.) http://dx.doi.org/10.1063/1.3043729 and Berkelbach https://doi.org/10.1063/1.5032314 to show connections between the Bethe-Salpeter…
Reference Energies for Cyclobutadiene: Automerization and Excited States
Enzo Monino, Martial Boggio-Pasqua, Anthony Scemama +2
Cyclobutadiene is a well-known playground for theoretical chemists and is particularly suitable to test ground- and excited-state methods. Indeed, due to its high spatial symmetry,…
Unphysical Discontinuities, Intruder States and Regularization in Methods
Enzo Monino, Pierre-François Loos
By recasting the non-linear frequency-dependent quasiparticle equation into a linear eigenvalue problem, we explain the appearance of multiple solutions and unphysical discont…
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…
Spin-Conserved and Spin-Flip Optical Excitations From the Bethe-Salpeter Equation Formalism
Enzo Monino, Pierre-François Loos
Like adiabatic time-dependent density-functional theory (TD-DFT), the Bethe-Salpeter equation (BSE) formalism of many-body perturbation theory, in its static approximation, is "bli…