Benoît Champagne
Orcid: 0000-0003-3678-8875Affiliations:
- University of Namur, Belgium
According to our database1,
Benoît Champagne
authored at least 14 papers
between 1994 and 2024.
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Bibliography
2024
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., 2024
Three-dimensional representation of the pure electric-dipole and the mixed first hyperpolarizabilities: The modified unit sphere representation.
J. Comput. Chem., 2024
2021
Density Functional Theory Study of Substitution Effects on the Second-Order Nonlinear Optical Properties of Lindquist-Type Organo-Imido Polyoxometalates.
Symmetry, 2021
2020
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., 2020
2013
Finding optimal finite field strengths allowing for a maximum of precision in the calculation of polarizabilities and hyperpolarizabilities.
J. Comput. Chem., 2013
2009
Vibrational Raman optical activity of pi-conjugated helical systems: Hexahelicene and heterohelicenes.
J. Comput. Chem., 2009
2007
Ab initio investigation on the nonlinear optical properties of silicon clusters Si<sub>n</sub> (n=3-8).
J. Comput. Methods Sci. Eng., 2007
2006
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., 2006
2005
Comput. Phys. Commun., 2005
2004
Dipole polarizability and second hyperpolarizability of difluoroacetylene: Basis set dependence and electron correlation effects.
J. Comput. Methods Sci. Eng., 2004
2002
Analytical TDHF second derivatives of dynamic electronic polarizability with respect to nuclear coordinates. Application to the dynamic ZPVA correction.
J. Comput. Chem., 2002
Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems.
J. Comput. Chem., 2002
2000
Efficient treatment of the effect of vibrations on electrical, magnetic, and spectroscopic properties.
J. Comput. Chem., 2000
1994
Modern Quantum Mechanical Techniques and Computations on the Electronic Structure of Polymers (Invited Paper).
Proceedings of the High-Performance Computing and Networking, 1994