Self-Interaction and Polarons in Density Functional Theory

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Self-Interaction and Polarons in Density Functional Theory

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Control of Buckling of Colloidal Supraparticles

Probing the kinetic inductance of twisted graphene superconductors

Amplitude analysis and branching fraction measurement of the Cabibbo-favored decay D+ → K−π+π+π0

Spectral and thermodynamic properties of interacting electrons with dynamical functionals

Nonempirical semilocal density functionals for correcting the self-interaction of polaronic states

Machine-learning the electronic density of states: electronic properties without quantum mechanics

Orbital-Resolved DFT plus U for Molecules and Solids

Automated all-functionals infrared and Raman spectra

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Polaron hopping through piecewise-linear functionals

Exciton migration in two-dimensional materials

Murunskite - a new class of functional material

Prompt and nonprompt ψ(2S) production in pPb collisions at √sNN=8.16 TeV

Noncollinear DFT plus U and Hubbard parameters with fully relativistic ultrasoft pseudopotentials

Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of CrI3 two-dimensional magnets

Frequency ratio of the 229mTh nuclear isomeric transition and the 87Sr atomic clock

Range-separated hybrid functionals for accurate prediction of band gaps of extended systems

Dataset to accompany publication "Quantum-mechanical effects in photoluminescence from thin crystalline gold films"

Spin, Charge, and ?-Spin Separation in One-Dimensional Photodoped Mott Insulators

Topological photonic transport in disordered scattering networks