7 citations · 7 across the 4 of their papers we have counts for
5 papers
Time-dependent ab__initio molecular-orbital decomposition for high-harmonic generation spectroscopy
Marco Marchetta, Chiara Morassut, Julien Toulouse +2
We propose a real-time time-dependent ab__initio approach within a configuration-interaction-singles ansatz to decompose the high-harmonic generation (HHG) signal of molecules in t…
Double-hybrid density-functional theory with density-based basis-set correction
Aurore Znaïda, Julien Toulouse
We develop the theory justifying the application of the density-based basis-set correction (DBBSC) method to double-hybrid approximations in order to accelerate their basis converg…
Vacuum polarization in a one-dimensional effective quantum-electrodynamics model
Timothée Audinet, Umberto Morellini, Antoine Levitt +1
With the aim of progressing toward a practical implementation of an effective quantum-electrodynamics (QED) theory of atoms and molecules, which includes the effects of vacuum pola…
Shortcut to Chemically Accurate Quantum Computing via Density-based Basis-set Correction
Diata Traore, Olivier Adjoua, César Feniou +8
Using GPU-accelerated state-vector emulation, we propose to embed a quantum computing ansatz into density-functional theory via density-based basis-set corrections (DBBSC) to obtai…
Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method
Diata Traore, Julien Toulouse, Emmanuel Giner
We present the first application to real molecular systems of the recently proposed linear-response theory for the density-based basis-set correction method [J. Chem. Phys. 158, 23…