Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems

Burak Himmetoḡlu, Andrea Floris, Stefano de Gironcoli, +1

International Journal of Quantum Chemistry

Materials ScienceQuantum ScienceQuantum Lattice SystemEngineeringPhysics +13

<i>Ab initio</i>theory of superconductivity. I. Density functional formalism and approximate functionals

Martin Lüders, Miguel A. L. Marques, Nektarios N. Lathiotakis, +6

Physical Review B

Approximate FunctionalsSuperconducting MaterialEngineeringChemistrySuperconductivity +15

<i>Ab initio</i>theory of superconductivity. II. Application to elemental metals

Miguel A. L. Marques, Martin Lüders, Nektarios N. Lathiotakis, +6

Physical Review B

Materials ScienceSuperconducting MaterialWeak Electron-phonon CouplingEngineeringHigh-tc Superconductivity +12

<i>Ab Initio</i>Description of High-Temperature Superconductivity in Dense Molecular Hydrogen

Pierluigi Cudazzo, G. Profeta, Antonio Sanna, +4

Physical Review Letters

Superconducting MaterialEngineeringMolecular Metallic HydrogenSuperconductivityHigh Tc Superconductors +17

Superconductivity in Lithium, Potassium, and Aluminum under Extreme Pressure: A First-Principles Study

G. Profeta, Cesare Franchini, Nektarios N. Lathiotakis, +7

Physical Review Letters

Superconducting MaterialEngineeringCritical CurrentsSuperconductivityQuantum Materials +17

Thermostatic properties of nitrate molten salts and their solar and eutectic mixtures

B. D’Aguanno, Mani Karthik, Andrews Nirmala Grace, +1

Scientific Reports

Exact Conditions in Finite-Temperature Density-Functional Theory

Stefano Pittalis, C. R. Proetto, Andrea Floris, +4

Physical Review Letters

EngineeringComputational ChemistryChemistryFunctional AnalysisElectronic Structure +16

Stereoselectivity and electrostatics in charge-transfer Mn- and Cs-TCNQ4 networks on Ag(100)

Nasiba Abdurakhmanova, Andrea Floris, Tzu-Chun Tseng, +4

Nature Communications

Electrical EngineeringEngineeringApplied PhysicsCharge-transfer Mn-Charge Separation +4

Two-band superconductivity in Pb from<i>ab initio</i>calculations

Andrea Floris, Antonio Sanna, S. Massidda, +1

Physical Review B

Materials ScienceSuperconducting MaterialGap AnisotropyCharge ExcitationsEngineering +12

Hubbard-corrected density functional perturbation theory with ultrasoft pseudopotentials

Andrea Floris, Iurii Timrov, Burak Himmetoḡlu, +3

Physical review. B./Physical review. B