{"knowledge_schema": {"broad_category": "Chemistry \u2192 Quantum Chemistry \u2192 Computational Methods", "refinement": "This problem specifically addresses the limitations of Density Functional Theory (DFT) in predicting molecular properties, particularly in relation to electron correlation effects.", "specific_scope": "The focus is on the performance of DFT for diatomic molecules, especially those with a triplet ground state, which often exhibit significant electron correlation.", "goal": "Identify the primary reason for DFT's failure in accurately predicting dissociation energies in specific molecular systems."}, "summary": "In quantum chemistry, the primary limitation of Density Functional Theory (DFT) in accurately predicting the dissociation energy of diatomic molecules with a triplet ground state is its struggle with strong electron correlation. This issue arises because DFT often relies on approximations that do not adequately account for the interactions between electrons in systems where electron correlation plays a significant role, leading to inaccuracies in energy predictions."}