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Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-)MR-CI.

Quantum ScienceEngineeringPhysicsNatural SciencesApplied PhysicsUltracold AtomAtomic PhysicsComputational ChemistryChemistryQuantum ChemistryElectronic Schrödinger EquationElectronic StructureAb-initio MethodMany-body Problem