Importance of Orbital Invariance in Quantifying Electron–Hole Separation and Exciton Size
John M. Herbert, Aniket Mandal
Abstract
charge-transfer diagnostics should be replaced by rigorous expectation values, which are no more expensive to compute.
Topics & Concepts
ElectronExcitonSeparation (statistics)PhysicsChemical physicsStatistical physicsQuantum mechanicsComputer scienceMachine learningMolecular Junctions and NanostructuresQuantum Dots Synthesis And PropertiesSemiconductor Quantum Structures and Devices