Benoît CHAMPAGNE

Full Professor

University of Namur

Belgium

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Research Interests

Physical Chemistry

60%

Condensed Matter Physics

70%

Photochemistry

70%

Exciton Physics

70%

Optical Physics

50%

Molecular Physics

50%

Molecular Electronics

40%

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Articles30

Quantum chemical investigation of a multistate multifunctional molecular switch triggered by two-photon absorption

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Year:

2025

Modeling second harmonic generation at alcohol/air interfaces. A molecular multi-layer approach

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2025

A Hybrid Scheme for Calculating Correlated and Frequency-Dependent First and Second Hyperpolarizabilities of Molecules in Solution: A Case Study on Para-Disubstituted Benzene Derivatives

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2025

Influence of symmetry on the second-order NLO properties: insights from the few state approximations

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2025

Erratum: “First-principles evaluation of the second harmonic generation response of reference organic and inorganic crystals” [J. Chem. Phys. 158, 064707 (2023)]

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2025

Bonding Evolution Theory Study of the [3+2] Cycloaddition Reaction Between Benzonitrile Oxide and Ethylenic Derivatives

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2025

Acid/Base‐Responsive Circularly Polarized Luminescence Emitters with Configurationally Stable Nitrogen Stereogenic Centers

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2025

pyHRSOA and pyTHSOA: Postprocessing Codes for the Computation of Second and Third‐Order Scattering Optical Activities

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2025

Robust binding energy distribution sampling on amorphous solid water models

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2025

Binding Energies of Molecules Grafted onto Calcium Surfaces: A Periodic DFT Investigation

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2025

Bridge improvement work: maximising non-linear optical performance in polyoxometalate derivatives

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2024

Simulating Vibronic Spectra by Direct Application of Doktorov Formulas on a Superconducting Quantum Simulator

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2024

Quantum Chemical Study of a Dihydroazulene‐Spiropyran Multi‐State Multi‐Functional Molecular Switch

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2024

Disentangling the molecular polarizability and first hyperpolarizability of methanol–air interfaces

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2024

Earth Mover’s Charge Transfer Distance: A General and Robust Approach for Describing Excited State Locality

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2024

Multimillion Atom Simulations of Di-8-ANEPPS Chromophores Embedded in a Model Plasma Membrane: Toward the Investigation of Realistic Dyed Cell Membranes

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2024

Simple scaling of the empirical London dispersion corrections in DFT geometry optimizations of prototypical nonlinear optical crystals

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2024

In silico investigation of the interaction between α-synuclein aggregates and organic supramolecular assemblies

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2024

Isomeric modulation of thermally activated delayed fluorescence in dibenzo[a,c]phenazine-based (deep) red emitters

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2024

On the third-order nonlinear optical responses of cis and trans stilbenes – a quantum chemistry investigation

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2024

A quantum chemical investigation of the second hyperpolarizability of p-nitroaniline

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Year:

2023

Influence of the Nature of the Lipid Building Blocks on the Second-Order Nonlinear Optical Responses of an Embedded Di-8-ANEPPS Probe

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2023

Electrochemically‐Switched 2nd Order Non‐Linear Optical Response in an Arylimido‐Polyoxometalate with High Contrast and Cyclability

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2023

Electrochemically‐Switched 2nd Order Non‐Linear Optical Response in an Arylimido‐Polyoxometalate with High Contrast and Cyclability

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2023

Third-harmonic scattering optical activity: QED theory, symmetry considerations, and quantum chemistry applications in the framework of response theory

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Year:

2023

Cover Feature: Second Harmonic Generation Signatures of Supramolecular Assemblies Based on Amide Moieties (ChemPhysChem 13/2023)

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2023

Second Harmonic Generation Signatures of Supramolecular Assemblies Based on Amide Moieties

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2023

Investigating the Mechanism of the Catalytic Intramolecular Aza-Wittig Reaction Involved in the Synthesis of 2-Methylbenzothiazole from the Perspective of Bonding Evolution Theory

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2023

Hyper-Rayleigh scattering optical activity: Theory, symmetry considerations, and quantum chemistry applications

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Year:

2023

First-principles evaluation of the second harmonic generation response of reference organic and inorganic crystals

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Year:

2023

Collaborators13

Tárcius N. Ramos

University of Namur

BELGIUM

Vicent Sixte Safont Villarreal

Professor/Full professor

Universitat Jaume I

SPAIN

Kayn Forbes

University of East Anglia

UNITED KINGDOM

Pierre Beaujean

University of Namur

BELGIUM

Lorenzo Maschio

Professore Associato

Università degli Studi di Torino

ITALY

John Fielden

UNITED KINGDOM

Noah Deveaux

University of Namur

BELGIUM

Koen Clays

Professor

KU Leuven

BELGIUM

Armand Soldera

Professeur / Vice-Dean Development-Partnerships

CANADA

Victor Blanco

Profesor Titular de Universidad (Associate Professor)

Universidad de Granada

SPAIN

Yves Dory

Full Professor

Université de Sherbrooke

CANADA

Frederic Castet

Professor

University of Bordeaux

FRANCE

Fraser MacMillan

Reader in Chemistry

University of East Anglia

UNITED KINGDOM

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