Ensemble Density Functional Theory of Neutral and Charged Excitations
Filip Cernatic, Bruno Senjean, Vincent Robert, Emmanuel Fromager
Topics & Concepts
Density functional theoryExcited stateChemistryStatistical physicsOrbital-free density functional theoryRotation formalisms in three dimensionsAtomic orbitalGround stateHybrid functionalQuantum mechanicsPhysicsComputational chemistryMathematicsElectronGeometryAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesMolecular Junctions and Nanostructures