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RESEARCH PAPER · Physical Review Letters · 2023

Natural Optical Activity from Density-Functional Perturbation Theory

Asier Zabalo, Massimiliano Stengel

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21 direct citing papers in this saved network. Explore the next layer with second-order citations.

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Natural Optical Activity from Density-Functional Perturbation TheoryOriginalFerroelectricity and chirality in the Pb 5 Ge 3 O 11 crystal13Ensemble density functional perturbation theory: Spatial dispersion in metals4Structural chirality measurements and computation of handedness in periodic solids9Structural chirality and related properties in periodic inorganic solids: review and perspectives30Static Born charges and quantum capacitance in metals and doped semiconductors0Spontaneous Structural Reconstructions and Properties of Ultrathin Triangular ZnSe Nanoplatelets0Optical spatial dispersion via Wannier interpolation3Handedness Selection and Hysteresis of Chiral Orders in Crystals2Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials32DFT calculations and theory do not support enantiospecificity in NMR J-coupling constants1Quantum theory of optical spin texture in a chiral tellurium lattice0Frequency doubling by quasi-phase matching in GaN and ZnSe crystals0Dynamical Response of Noncollinear Spin Systems at Constrained Magnetic Moments3Ab Initio Theory of Optical Activity in α -Quartz in the G W -Bethe-Salpeter-Equation Framework2Beyond standard DFT: Accurate electronic and NLO characterization of ZnSe and GaN for QPM device design using HSE06 hybrid functional1Simulations of light-matter interaction in ferroelectrics and related materials0Hidden Chiral Ferroelectricity in AgNbO 3 Perovskite2Chiral-induced spin selectivity in chiral solid-state materials for biomedical engineering1Spin-orbit coupling renormalization of the natural optical activity of Pb 5 Ge 3 O 11 from first principles0Hidden ferroelectric chiral ground state of silver niobate0Hidden integer quantum ferroelectricity in chiral tellurium0

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  1. Ferroelectricity and chirality in the Pb 5 Ge 3 O 11 crystal

    Physical review. B./Physical review. B · 2024-01-26

    Mauro Fava, William Lafargue‐Dit‐Hauret, Aldo Humberto Romero, Éric Bousquet

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  2. Ensemble density functional perturbation theory: Spatial dispersion in metals

    Physical review. B./Physical review. B · 2024-06-12

    Asier Zabalo, Massimiliano Stengel

    Read original paper ↗ ·

  3. Structural chirality measurements and computation of handedness in periodic solids

    Physical review. B./Physical review. B · 2024-11-26

    Fernando Gómez‐Ortiz, Mauro Fava, Emma E. McCabe, Aldo Humberto Romero, Éric Bousquet

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  4. Structural chirality and related properties in periodic inorganic solids: review and perspectives

    Journal of Physics Condensed Matter · 2025-02-14

    Éric Bousquet, Mauro Fava, Zachary Romestan, Fernando Gómez‐Ortiz, Emma E. McCabe, Aldo Humberto Romero

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  5. Static Born charges and quantum capacitance in metals and doped semiconductors

    Physical review. B./Physical review. B · 2025-03-17

    Asier Zabalo, Cyrus E. Dreyer, Massimiliano Stengel

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  6. Spontaneous Structural Reconstructions and Properties of Ultrathin Triangular ZnSe Nanoplatelets

    The Journal of Physical Chemistry C · 2025-04-01

    Alexander I. Lebedev

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  7. Optical spatial dispersion via Wannier interpolation

    Physical review. B./Physical review. B · 2025-06-27

    Andrea Urru, Ivo Souza, Óscar Pozo, Stepan S. Tsirkin, David Vanderbilt

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  8. Handedness Selection and Hysteresis of Chiral Orders in Crystals

    Physical Review Letters · 2025-09-10

    Mauro Fava, Aldo Humberto Romero, Éric Bousquet

    Read original paper ↗ ·

  9. Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials

    The Journal of Chemical Physics · 2025-10-28

    Matthieu Jean Verstraete, Joao Abreu, Guillaume E. Allemand, Bernard Amadon, Gabriel Antonius, Maryam Azizi, Lucas Baguet, Clémentine Barat, Louis Bastogne, Romuald Béjaud, Jean-Michel Beuken, Jordan Bieder, Augustin Blanchet, François Bottin A, Johann Bouchet, Julien Bouquiaux, Éric Bousquet, James Boust, Fabien Brieuc, Véronique Brousseau-Couture, Nils Brouwer, Fabien Bruneval, Aloïs Castellano, Emmanuel Castiel, Jean-Baptiste Charraud, Jean Clérouin, Michel Côté, Clément Duval, Alejandro Gallo, Frederic Gendron, Grégory Geneste, Philippe Ghosez, Matteo Giantomassi, Olivier Gingras, Fernando Gómez‐Ortiz, Xavier Gonze, Félix Antoine Goudreault, Andreas Grüneis, Raveena Gupta, Bogdan Guster, Donald R. Hamann, Xu He, Olle Hellman, Natalie A. W. Holzwarth, Francois Jollet, Pierre Kestener, Ioanna-Maria Lygatsika, Olivier Nadeau, Lórien MacEnulty, Enrico Marazzi, Maxime Mignolet, David Daniel O’Regan, Robinson Outerovitch, Charles Paillard, Guido Petretto, Samuel Poncé, Francesco Ricci, Gian‐Marco Rignanese, Mauricio Rodríguez‐Mayorga, Aldo Humberto Romero, Samare Rostami, Miquel Royo, Marc Sarraute, Alireza Sasani, François Soubiran, Massimiliano Stengel, Christian Tantardini, Marc Torrent, Victor Trinquet, Vasilii Vasilchenko, David Waroquiers, Asier Zabalo, Austin Zadoks, Huazhang Zhang, Josef W. Zwanziger

    Read original paper ↗ ·

  10. DFT calculations and theory do not support enantiospecificity in NMR J-coupling constants

    Nature Communications · 2025-11-14

    Frédéric A. Perras, Josef W. Zwanziger, Aaron J. Rossini

    Read original paper ↗ ·

  11. Quantum theory of optical spin texture in a chiral tellurium lattice

    Physical review. B./Physical review. B · 2025-12-16

    Pronoy Das, Sathwik Bharadwaj, Jungho Mun, Xueji Wang, Junsuk Rho, Zubin Jacob

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  12. Frequency doubling by quasi-phase matching in GaN and ZnSe crystals

    SSRN Electronic Journal · 2026-01-01

    Tahar Dahame, Aissa Yousfi, Fatima Elhamra, Mohamed Abdelilah Fadla, Sabrina Djeradi, Fathi Bendelala, Mohammed ElSaid Sarhani

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  13. Dynamical Response of Noncollinear Spin Systems at Constrained Magnetic Moments

    Physical Review X · 2026-01-27

    Miquel Royo, Massimiliano Stengel

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  14. Ab Initio Theory of Optical Activity in α -Quartz in the G W -Bethe-Salpeter-Equation Framework

    Physical Review Letters · 2026-04-06

    Xiaoming Wang, Yanfa Yan

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  15. Beyond standard DFT: Accurate electronic and NLO characterization of ZnSe and GaN for QPM device design using HSE06 hybrid functional

    Physics Open · 2026-05-01

    Tahar Dahame, Aissa Yousfi, E.L.HAMRA Fatima, Mohamed Abdelilah Fadla, Sabrina Djeradi, Fathi Bendelala, Mohammed ElSaid Sarhani

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  16. Simulations of light-matter interaction in ferroelectrics and related materials

    Optical Materials Express · 2026-05-11

    Peng Chen, Carmel Dansou, Charles Paillard, Zhijun Jiang, Lingyuan Gao, Sergei Prokhorenko, Yousra Nahas, Sergey Prosandeev, L. Bellaïche

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  17. Hidden Chiral Ferroelectricity in AgNbO 3 Perovskite

    Physical Review Letters · 2026-06-11

    Ying Song, Lingzhi Cao, Jinming Zhai, Zhilong Yang, Yali Yang, L. Bellaïche, Jiangang He

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  18. Chiral-induced spin selectivity in chiral solid-state materials for biomedical engineering

    Communications Materials · 2026-07-13

    Rui Gao, Dan Meng, Xiongbin Lu

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  19. Spin-orbit coupling renormalization of the natural optical activity of Pb 5 Ge 3 O 11 from first principles

    Physical review. B./Physical review. B · 2026-07-21

    Anonymous, Massimiliano Stengel, Éric Bousquet

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  20. Hidden ferroelectric chiral ground state of silver niobate

    Physical review. B./Physical review. B · 2026-08-24

    Anonymous, Fernando Gómez‐Ortiz, Éric Bousquet, Philippe Ghosez

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  21. Hidden integer quantum ferroelectricity in chiral tellurium

    Physical review. B./Physical review. B · 2026-09-01

    Anonymous, Shihan Deng, Muting Xie, Junyi Ji, Hongjun Xiang, L. Bellaïche

    Read original paper ↗ ·
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