Correspondence of defect energy levels in hybrid density functional theory and many-body perturbation theory

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Correspondence of defect energy levels in hybrid density functional theory and many-body perturbation theory

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Finite-size corrections of defect energy levels involving ionic polarization

Defect Formation Energies of Interstitial C, Si, and Ge Impurities in beta-Ga2O3

Extrinsic Defects in Amorphous Oxides: Hydrogen, Carbon, and Nitrogen Impurities in Alumina

Template-assisted grown III-V semiconductor nanowires: A transmission electron microscopy study

Self-consistent site-dependent DFT plus U study of stoichiometric and defective SrMnO3

Alignment of energy levels in amorphous oxides and at semiconductor-water interfaces

Vertical Ionization Energies and Electron Affinities of Native and Damaged DNA Bases, Nucleotides, and Pairs from Density Functional Theory Calculations: Model Assessment and Implications for DNA Damage Recognition and Repair

Band Gap of Atomically Precise Graphene Nanoribbons as a Function of Ribbon Length and Termination

Koopmans-Compliant Functionals and Potentials and Their Application to the GW100 Test Set

CHD3 Dissociation on the Kinked Pt(210) Surface: A Comparison of Experiment and Theory

Advantageous nearsightedness of many-body perturbation theory contrasted with Kohn-Sham density functional theory