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Journal of Computational Chemistry|July 11, 2024
Three-dimensional representation of the pure electric-dipole and the mixed first hyperpolarizabilities: The modified unit sphere representationAndrea Bonvicini, Benoît ChampagneJournal of Computational Chemistry|June 26, 2025
pyHRSOA and pyTHSOA: Postprocessing Codes for the Computation of Second and Third-Order Scattering Optical ActivitiesAndrea Bonvicini, Benoît ChampagneThe Journal of Chemical Physics|September 15, 2023
Third-harmonic scattering optical activity: QED theory, symmetry considerations, and quantum chemistry applications in the framework of response theoryAndrea Bonvicini, Benoît ChampagnePhysical Chemistry Chemical Physics : PCCP|October 10, 2024
Quantum chemistry study on the hyper-Rayleigh scattering optical activity of R-carvone and (1R,5R)-α-pineneAndrea Bonvicini, Benoît ChampagneJournal of Chemical Theory and Computation|October 23, 2023
Three-Dimensional Rotational Averaging Using Irreducible Sets of Linearly Independent Fundamental Isotropic Cartesian Tensors: A Computational ApproachAndrea Bonvicini, Benoît ChampagneThe Journal of Chemical Physics|June 4, 2026
Velocity formulations for hyper-Rayleigh scattering optical activity spectroscopy: Addressing the origin-dependence problemAndrea Bonvicini, Sonia Coriani, Benoît ChampagneThe Journal of Chemical Physics|May 22, 2023
Hyper-Rayleigh scattering optical activity: Theory, symmetry considerations, and quantum chemistry applicationsAndrea Bonvicini, Kayn A Forbes, David L Andrews, et al.The Journal of Chemical Physics|August 1, 2016
Coupled cluster evaluation of the frequency dispersion of the first and second hyperpolarizabilities of water, methanol, and dimethyl etherPierre Beaujean, Benoît ChampagneThe Journal of Chemical Physics|June 8, 2013
SCC-DFTB calculation of the static first hyperpolarizability: from gas phase molecules to functionalized surfacesSébastien Nénon, Benoît ChampagneThe Journal of Chemical Physics|December 7, 2007
Circular dichroism of helical structures using semiempirical methodsEdith Botek, Benoît ChampagnePageof 21