Regularized CASPT2: an Intruder-State-Free Approach
Stefano Battaglia, Lina Fransén, Ignacio Fdez. Galván, Roland Lindh
Abstract
-CASPT2, have different potential application domains. This analysis also reveals the unsuitability of the real level shift technique as a general way to avoid the intruder-state problem.
Topics & Concepts
Computer scienceRegularization (linguistics)State (computer science)Sensitivity (control systems)AlgorithmArtificial intelligenceEngineeringElectronic engineeringQuantum Computing Algorithms and ArchitectureAdvanced NMR Techniques and ApplicationsQuantum Information and Cryptography