CRYSTAL23: A Program for Computational Solid State Physics and Chemistry von Erba, Alessandro, Desmarais, Jacques K., Casassa, Silvia, Civalleri, Bartolomeo, Donà, Lorenzo, Bush, Ian J., Searle, Barry, Maschio, Lorenzo, Edith-Daga, Loredana, Cossard, Alessandro, Ribaldone, Chiara, Ascrizzi, Eleonora, Marana, Naiara L., Flament, Jean-Pierre, Kirtman, Bernard

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Spin Currents via the Gauge Principle for Meta-Generalized Gradient Exchange-Correlation Functionals von Desmarais, Jacques K, Maul, Jefferson, Civalleri, Bartolomeo, Erba, Alessandro, Vignale, Giovanni, Pittalis, Stefano

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Electron Localization Function for Noncollinear Spins von Desmarais, Jacques K, Vignale, Giovanni, Bencheikh, Kamel, Erba, Alessandro, Pittalis, Stefano

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TIM3 Mediates T Cell Exhaustion during Mycobacterium tuberculosis Infection von Jayaraman, Pushpa, Jacques, Miye K, Zhu, Chen, Steblenko, Katherine M, Stowell, Britni L, Madi, Asaf, Anderson, Ana C, Kuchroo, Vijay K, Behar, Samuel M

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Fundamental Role of Fock Exchange in Relativistic Density Functional Theory von Desmarais, Jacques K, Flament, Jean-Pierre, Erba, Alessandro

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Perturbation Theory Treatment of Spin–Orbit Coupling II: A Coupled Perturbed Kohn–Sham Method von Desmarais, Jacques K, Erba, Alessandro, Flament, Jean-Pierre, Kirtman, Bernard

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Efficient calculation of derivatives of integrals in a basis of non-separable Gaussians von Desmarais, Jacques K., De Frenza, Alessandro, Erba, Alessandro

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Spin–orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories von Desmarais, Jacques K., Komorovsky, Stanislav, Flament, Jean-Pierre, Erba, Alessandro

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Topology of the Electron Density and of Its Laplacian from Periodic LCAO Calculations on f-Electron Materials: The Case of Cesium Uranyl Chloride von Cossard, Alessandro, Casassa, Silvia, Gatti, Carlo, Desmarais, Jacques K., Erba, Alessandro

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Charge Density Analysis of Actinide Compounds from the Quantum Theory of Atoms in Molecules and Crystals von Cossard, Alessandro, Desmarais, Jacques K, Casassa, Silvia, Gatti, Carlo, Erba, Alessandro

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Spin-orbit coupling from a two-component self-consistent approach. I. Generalized Hartree-Fock theory von Desmarais, Jacques K., Flament, Jean-Pierre, Erba, Alessandro

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Perturbation Theory Treatment of Spin–Orbit Coupling, Part I: Double Perturbation Theory Based on a Single-Reference Initial Approximation von Desmarais, Jacques K, Erba, Alessandro, Flament, Jean-Pierre, Kirtman, Bernard

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Perturbation Theory Treatment of Spin–Orbit Coupling. III: Coupled Perturbed Method for Solids von Desmarais, Jacques K., Boccuni, Alberto, Flament, Jean-Pierre, Kirtman, Bernard, Erba, Alessandro

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The Electron-Density Distribution of UCl4 and Its Topology from X-ray Diffraction von Cossard, Alessandro, Gianopoulos, Christopher G, Desmarais, Jacques K, Casassa, Silvia, Gatti, Carlo, Erba, Alessandro, Pinkerton, A Alan

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The Electron-Density Distribution of UCl 4 and Its Topology from X-ray Diffraction von Cossard, Alessandro, Gianopoulos, Christopher G, Desmarais, Jacques K, Casassa, Silvia, Gatti, Carlo, Erba, Alessandro, Pinkerton, A Alan

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Mechanisms for Pressure-Induced Isostructural Phase Transitions in EuO von Desmarais, Jacques K., Erba, Alessandro, Pan, Yuanming, Civalleri, Bartolomeo, Tse, John S.

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Retraction: “Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories” [J. Chem. Phys. 151, 074108 (2019)] von Desmarais, Jacques K., Flament, Jean-Pierre, Erba, Alessandro

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Spin-orbit coupling in periodic systems with broken time-reversal symmetry: Formal and computational aspects von Desmarais, Jacques K., Flament, Jean-Pierre, Erba, Alessandro

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Desmarais et al. Reply von Desmarais, Jacques K, Erba, Alessandro, Pan, Yuanming, Civalleri, Bartolomeo, Tse, John S

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Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories von Desmarais, Jacques K., Flament, Jean-Pierre, Erba, Alessandro

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