MRM2023/IUMRS-ICA2023

Presentation information

Oral Session

A. Fundamentals » [A-2] Chirality in materials

[A2-O403] Oral 403

Thu. Dec 14, 2023 4:30 PM - 6:30 PM Session 9 (Room104)

Chair: Riina Aav (Tallinn University of Technology)

4:55 PM - 5:20 PM

[A2-O403-02] First-Principles Calculation of the Optical Rotatory Power of Periodic Systems: Modern Theory with Modern Functionals

*Jacques K Desmarais1, Bernard Kirtman2, Michel Rérat3 (1. University of Turin (Italy), 2. University of California Santa Barbara (United States of America), 3. Université de Pau (France))

Keywords:Chirality, Optical Rotation, Orbital Magnetization, Density Functional Theory

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