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Dive into the research topics where François Mairesse is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Projects
- 1 Active
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Simple scaling of the empirical London dispersion corrections in DFT geometry optimizations of prototypical nonlinear optical crystals
Mairesse, F. & Champagne, B., 2024, In: International Journal of Quantum Chemistry. 124, 1, e27275.Research output: Contribution to journal › Article › peer-review
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Band structures and Z2 invariants of two-dimensional transition metal dichalcogenide monolayers from fully relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals
Kadek, M., Wang, B., Joosten, M., Chiu, W. C., Mairesse, F., Repisky, M., Ruud, K. & Bansil, A., Jun 2023, In: Physical Review Materials. 7, 6, 064001.Research output: Contribution to journal › Article › peer-review
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First-principles evaluation of the second harmonic generation response of reference organic and inorganic crystals
Mairesse, F., Maschio, L. & Champagne, B., 14 Feb 2023, In: The Journal of chemical physics. 158, 6, p. 064707 14 p., 064707.Research output: Contribution to journal › Article › peer-review
Open AccessFile69 Downloads (Pure) -
Computational parameters determination for evaluating the second-order nonlinear optical susceptibilities 𝝌^((𝟐)) of molecular organic as well as inorganic crystals
Mairesse, F. & Champagne, B. (Supervisor), 2022, (Unpublished).Research output: Contribution to conference › Poster
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Second-order nonlinear optical susceptibility χ^((2)) of reference crystals – investigations of basis set and electron correlation effects
Mairesse, F. & Champagne, B. (Supervisor), 2022, (Unpublished).Research output: Contribution to conference › Poster
Activities
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Congress of Theoretical Chemists of Latin Expression (Chimistes Théoriciens d'Expression Latine) 2024
Mairesse, F. (Contributor)
30 Jun 2024 → 5 Jul 2024Activity: Participating in or organising an event types › Participation in conference
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NISM Annual Meeting 2023
Mairesse, F. (Participant)
18 Dec 2023Activity: Participating in or organising an event types › Participation in conference
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Molecular Response Properties Summer School 2023 (MRPSS 2023)
Kaka, K. S. (Participant) & Mairesse, F. (Participant)
12 Jun 2023 → 16 Jun 2023Activity: Participating in or organising an event types › Participation in workshop, seminar, course
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First Principles Evaluation of the Second Harmonic Generation Response χ^((2)) of Reference Organic and Inorganic Crystals
Mairesse, F. (Speaker) & Champagne, B. (Speaker)
22 May 2023Activity: Talk or presentation types › Oral presentation
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Time-Dependent Density Functional Theory - Framework and NLO application
Mairesse, F. (Speaker)
28 May 2023 → 1 Jun 2023Activity: Talk or presentation types › Oral presentation