Benoît Champagne

15 papers Journal 14Unranked 1
YearRankTypeTitle / Venue / Authors
2024 J jnl
Multimillion Atom Simulations of Di-8-ANEPPS Chromophores Embedded in a Model Plasma Membrane: Toward the Investigation of Realistic Dyed Cell Membranes.
J. Chem. Inf. Model.
Charlotte Bouquiaux, Benoît Champagne, Pierre Beaujean
2024 J jnl
Three-dimensional representation of the pure electric-dipole and the mixed first hyperpolarizabilities: The modified unit sphere representation.
J. Comput. Chem.
Andrea Bonvicini, Benoît Champagne
2021 J jnl
Density Functional Theory Study of Substitution Effects on the Second-Order Nonlinear Optical Properties of Lindquist-Type Organo-Imido Polyoxometalates.
Symmetry
Emna Rtibi, Benoît Champagne
2020 J jnl
Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method.
J. Chem. Inf. Model.
Tárcius N. Ramos, Sylvio Canuto, Benoît Champagne
2013 J jnl
Finding optimal finite field strengths allowing for a maximum of precision in the calculation of polarizabilities and hyperpolarizabilities.
J. Comput. Chem.
Ahmed A. K. Mohammed, Peter A. Limacher, Benoît Champagne
2009 J jnl
Vibrational Raman optical activity of pi-conjugated helical systems: Hexahelicene and heterohelicenes.
J. Comput. Chem.
Vincent Liégeois, Benoît Champagne
2007 J jnl
Ab initio investigation on the nonlinear optical properties of silicon clusters Si
J. Comput. Methods Sci. Eng.
Benoît Champagne, Maxime Guillaume, Didier Bégué, Claude Pouchan
2006 J jnl
Elongation method and supermolecule approach for the calculation of nonlinear susceptibilities. Application to the 3-Methyl-4-Nitropyridine 1-Oxide and 2-Methyl-4-Nitroaniline crystals.
J. Comput. Methods Sci. Eng.
Feng Long Gu, Maxime Guillaume, Edith Botek, Benoît Champagne, Frédéric Castet, Laurent Ducasse, Yuriko Aoki
2005 J jnl
Rototranslational sum rules for static and dynamic polarisabilities.
Comput. Phys. Commun.
Olivier Quinet, Benoît Champagne, Paolo Lazzeretti
2004 J jnl
Dipole polarizability and second hyperpolarizability of difluoroacetylene: Basis set dependence and electron correlation effects.
J. Comput. Methods Sci. Eng.
Miroslav Medved, Benoît Champagne, Jozef Noga, Eric A. Perpète
2002 J jnl
Analytical TDHF second derivatives of dynamic electronic polarizability with respect to nuclear coordinates. Application to the dynamic ZPVA correction.
J. Comput. Chem.
Olivier Quinet, Benoît Champagne, Bernard Kirtman
2002 J jnl
Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems.
J. Comput. Chem.
Denis Jacquemin, Benoît Champagne, Jean-Marie André, Erik Deumens, Yngve Öhrn
2001 J jnl
Analytical TDHF second derivatives of dynamic electronic polarizability with respect to nuclear coordinates. Application to the dynamic ZPVA correction.
J. Comput. Chem.
Olivier Quinet, Benoît Champagne, Bernard Kirtman
2000 J jnl
Efficient treatment of the effect of vibrations on electrical, magnetic, and spectroscopic properties.
J. Comput. Chem.
Bernard Kirtman, Benoît Champagne, Josep M. Luis
1994 — conf
Modern Quantum Mechanical Techniques and Computations on the Electronic Structure of Polymers (Invited Paper).
HPCN
Jean-Marie André, Benoît Champagne, Joseph Delhalle, J. G. Fripiat, D. H. Mosley