Impact of van der Waals interactions on the structural and nonlinear optical properties of azobenzene switches C Naim, F Castet, E Matito Physical Chemistry Chemical Physics 23 (37), 21227-21239, 2021 | 16 | 2021 |
Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties? C Naim, P Besalú-Sala, R Zalesny, JM Luis, F Castet, E Matito Journal of Chemical Theory and Computation 19 (6), 1753-1764, 2023 | 8 | 2023 |
Electric-field induced second harmonic generation responses of push–pull polyenic dyes: experimental and theoretical characterizations C Naim, R Vangheluwe, I Ledoux-Rak, B Champagne, C Tonnelé, ... Physical Chemistry Chemical Physics 25 (20), 13978-13988, 2023 | 7 | 2023 |
Two-Photon Absorption Strengths of Small Molecules: Reference CC3 Values and Benchmarks C Naim, R Zaleśny, D Jacquemin Journal of Chemical Theory and Computation 20 (20), 9093-9106, 2024 | 2 | 2024 |
Dynamic effects on the nonlinear optical properties of donor acceptor stenhouse adducts: insights from combined MD+ QM simulations A Dellai, C Naim, J Cerezo, G Prampolini, F Castet Physical Chemistry Chemical Physics 26 (18), 13639-13654, 2024 | 1 | 2024 |
Extraction of a One-Particle Reduced Density Matrix from a Quantum Monte Carlo Electronic Density: A New Tool for Studying Nondynamic Correlation C Naim, C Amovilli Computation 9 (12), 135, 2021 | 1 | 2021 |
Two-photon Absorption Strengths of Small-and Medium-Sized Molecules: Reference CC3 Values and Benchmarks C Naim, R Zaleśny, D Jacquemin | | 2024 |
Determination of nonlinear optical properties with quantum chemistry: from benchmarks to experimental systems C Naim Université de Bordeaux; Universidad del País Vasco, 2022 | | 2022 |
Analysis of nondynamic electron correlation in DFT C NAIM | | 2018 |
Supporting Information: Impact of Van der Waals interactions on structural and nonlinear optical properties of azobenzene switches C Naim, F Castet, E Matito | | |