Locating conical intersections using the quasidegenerate partially and strongly contracted NEVPT2 methods
Yoshio Nishimoto
Topics & Concepts
Complete active spaceConical surfaceValence (chemistry)Perturbation theory (quantum mechanics)Radiative transferChemistryPerturbation (astronomy)Electronic correlationPhysicsAtomic physicsComputational chemistryElectronMolecular physicsQuantum mechanicsDensity functional theoryMathematicsGeometryBasis setAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesPhotochemistry and Electron Transfer Studies