Výsledky vyhledávání - "Naim, Carmelo"

Periodical

Two-Photon Absorption Strengths of Small Molecules: Reference CC3 Values and Benchmarks

Autor: Naim, Carmelo, Zaleśny, Robert, Jacquemin, Denis

Publikováno v: Journal of Chemical Theory and Computation; October 2024, Vol. 20 Issue: 20 p9093-9106, 14p

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Akademický článek

Dynamic effects on the nonlinear optical properties of donor acceptor stenhouse adducts: insights from combined MD + QM simulations.

Autor: Dellai, Angela, Naim, Carmelo, Cerezo, Javier, Prampolini, Giacomo, Castet, Frédéric

Publikováno v: Physical Chemistry Chemical Physics (PCCP); 5/14/2024, Vol. 26 Issue 18, p13639-13654, 16p

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Akademický článek

Electric-field induced second harmonic generation responses of push–pull polyenic dyes: experimental and theoretical characterizations.

Autor: Naim, Carmelo, Vangheluwe, Raphaël, Ledoux-Rak, Isabelle, Champagne, Benoît, Tonnelé, Claire, Blanchard-Desce, Mireille, Matito, Eduard, Castet, Frédéric

Publikováno v: Physical Chemistry Chemical Physics (PCCP); 5/28/2023, Vol. 25 Issue 20, p13978-13988, 11p

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Akademický článek

Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties?

Autor: Naim, Carmelo, Besalú-Sala, Pau, Zaleśny, Robert, Luis, Josep M., Castet, Frédéric, Matito, Eduard

Publikováno v: Journal of Chemical Theory & Computation; 3/28/2023, Vol. 19 Issue 6, p1753-1764, 12p

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Akademický článek

Impact of van der Waals interactions on the structural and nonlinear optical properties of azobenzene switches.

Autor: Naim, Carmelo, Castet, Frédéric, Matito, Eduard

Publikováno v: Physical Chemistry Chemical Physics (PCCP); 10/7/2021, Vol. 23 Issue 37, p21227-21239, 13p

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Akademický článek

Extraction of a One-Particle Reduced Density Matrix from a Quantum Monte Carlo Electronic Density: A New Tool for Studying Nondynamic Correlation.

Autor: Naim, Carmelo, Amovilli, Claudio

Publikováno v: Computation; Dec2021, Vol. 9 Issue 12, p135-135, 1p

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