Exchange-correlation potentials with proper discontinuities for physically meaningful Kohn-Sham eigenvalues and band structures von Gorling, Andreas

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Power Series Approximation for the Correlation Kernel Leading to Kohn-Sham Methods Combining Accuracy, Computational Efficiency, and General Applicability von Erhard, Jannis, Bleiziffer, Patrick, Görling, Andreas

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Noncovalent Functionalization of Black Phosphorus von Abellán, Gonzalo, Lloret, Vicent, Mundloch, Udo, Marcia, Mario, Neiss, Christian, Görling, Andreas, Varela, Maria, Hauke, Frank, Hirsch, Andreas

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Two-dimensional materials with Dirac cones: Graphynes containing heteroatoms von Malko, Daniel, Neiss, Christian, Görling, Andreas

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Efficient self-consistent treatment of electron correlation within the random phase approximation von Bleiziffer, Patrick, Heßelmann, Andreas, Görling, Andreas

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Enforcing Extended Porphyrin J‑Aggregate Stacking in Covalent Organic Frameworks von Keller, Niklas, Calik, Mona, Sharapa, Dmitry, Soni, Himadri R, Zehetmaier, Peter M, Rager, Sabrina, Auras, Florian, Jakowetz, Andreas C, Görling, Andreas, Clark, Timothy, Bein, Thomas

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Avoiding spin contamination and spatial symmetry breaking by exact-exchange-only optimized-effective-potential methods within the symmetrized Kohn–Sham framework von Trushin, Egor, Görling, Andreas

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The Nature of One-Dimensional Carbon: Polyynic versus Cumulenic von Neiss, Christian, Trushin, Egor, Görling, Andreas

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An embedded atom model for Ga–Pd systems: From intermetallic crystals to liquid alloys von Wonglakhon, Tanakorn, Maisel, Sven, Görling, Andreas, Zahn, Dirk

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Operando DRIFTS and DFT Study of Propane Dehydrogenation over Solid- and Liquid-Supported GaxPty Catalysts von Bauer, Tanja, Maisel, Sven, Blaumeiser, Dominik, Vecchietti, Julia, Taccardi, Nicola, Wasserscheid, Peter, Bonivardi, Adrian, Görling, Andreas, Libuda, Jörg

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Numerically stable optimized effective potential method with standard Gaussian basis sets von Trushin, Egor, Görling, Andreas

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Metalated Graphyne-Based Networks as Two-Dimensional Materials: Crystallization, Topological Defects, Delocalized Electronic States, and Site-Specific Doping von Yang, Zechao, Sander, Tim, Gebhardt, Julian, Schaub, Tobias A, Schönamsgruber, Jörg, Soni, Himadri R, Görling, Andreas, Kivala, Milan, Maier, Sabine

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Noncovalent Functionalization and Charge Transfer in Antimonene von Abellán, Gonzalo, Ares, Pablo, Wild, Stefan, Nuin, Edurne, Neiss, Christian, Miguel, David Rodriguez‐San, Segovia, Pilar, Gibaja, Carlos, Michel, Enrique G., Görling, Andreas, Hauke, Frank, Gómez‐Herrero, Julio, Hirsch, Andreas, Zamora, Félix

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Analytic energy gradients for the self-consistent direct random phase approximation von Thierbach, Adrian, Görling, Andreas

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Orbital- and state-dependent functionals in density-functional theory von Görling, Andreas

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Toward chemical accuracy at low computational cost: Density-functional theory with σ-functionals for the correlation energy von Trushin, Egor, Thierbach, Adrian, Görling, Andreas

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Cumulene Rotaxanes: Stabilization and Study of [9]Cumulenes von Franz, Michael, Januszewski, Johanna A., Wendinger, Dominik, Neiss, Christian, Movsisyan, Levon D., Hampel, Frank, Anderson, Harry L., Görling, Andreas, Tykwinski, Rik R.

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Bonding Mechanisms of Graphene on Metal Surfaces von Kozlov, Sergey M, Viñes, Francesc, Görling, Andreas

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Analytic energy gradients for the exact exchange Kohn–Sham method von Thierbach, Adrian, Görling, Andreas

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Accurate NMR Shieldings with σ‑Functionals von Fauser, Steffen, Drontschenko, Viktoria, Ochsenfeld, Christian, Görling, Andreas

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