Deep-neural-network solution of the electronic Schrödinger equation
Jan Hermann, Zeno Schätzle, Frank Noé
Topics & Concepts
AnsatzWave functionDiatomic moleculeQuantum Monte CarloElectronic structureMonte Carlo methodQuantumStatistical physicsChemistryQuantum mechanicsFull configuration interactionFlexibility (engineering)Exact solutions in general relativityPhysicsHydrogen moleculeVariational methodNumerical analysisApplied mathematicsVariational Monte CarloQuantum chemistryScale (ratio)Energy (signal processing)Quantum dotSchrödinger equationMachine Learning in Materials ScienceAdvanced Chemical Physics StudiesQuantum Computing Algorithms and Architecture