Compression of Spin-Adapted Multiconfigurational Wave Functions in Exchange-Coupled Polynuclear Spin Systems
Giovanni Li Manni, Werner Dobrautz, Ali Alavi
Abstract
case shows the general applicability of the method.
Topics & Concepts
Wave functionHamiltonian (control theory)Atomic orbitalConfiguration interactionQuantum Monte CarloFull configuration interactionSpin (aerodynamics)Exchange interactionConfiguration spaceComplete active spaceChemistryPhysicsQuantum mechanicsMonte Carlo methodMoleculeMathematicsElectronFerromagnetismThermodynamicsMathematical optimizationStatisticsMagnetism in coordination complexesAdvanced Chemical Physics StudiesAdvanced Condensed Matter Physics