Multi-configurational and multireference quantum chemistry methods account for static electron correlation.
Multi-configurational and multireference quantum chemistry methods are specifically designed to accurately account for static electron correlation in complex molecular systems.
The retrieved papers consistently state and utilize multi-configurational and multireference methods (such as CASSCF, MC-PDFT, and NEVPT2) precisely for their ability to handle static electron correlation in strongly correlated systems. There are no refutations of this fundamental quantum chemistry principle.
Alessandro R, Castagnola M, Koch H, Ronca E. A Complete Active Space Self-Consistent Field Approach for Molecules in QED Environments.. 2025. https://doi.org/10.1021/acs.jctc.5c00519
Paper 0 states that multireference systems require an accurate description of static electron correlation, which is investigated using the CASSCF approach.
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Seal A, Perego S, Hennefarth MR, Raucci U, Bonati L, Ferguson AL, Parrinello M, Gagliardi L. Weighted active space protocol for multireference machine-learned potentials.. 2025. https://doi.org/10.1073/pnas.2513693122
Paper 1 notes that multireference methods like multiconfiguration pair-density functional theory accurately capture electronic correlation in systems with strong multiconfigurational character.
Chen Y, Sheng Z, Li W, Zhang Y, Xu X, Huang JH, Li Y. Quantum-classical hybrid computation of electron transfer in a cryptochrome protein <i>via</i> VQE-PDFT and multiscale modeling.. 2026. https://doi.org/10.1039/d5sc07528a
Paper 4 discusses how calculating strongly correlated electronic systems requires proper treatment of both static and dynamic correlations via multiconfigurational methods.
Rodrigues GLS, Delcey MG, Solomon GC, Hedegård ED, Leitherer S. Magnetic Coupling in Non-Kekulé Diradical Hydrocarbons via Multiconfigurational Pair-Density Functional Theory.. 2025. https://doi.org/10.1021/acs.jctc.5c01327
Paper 5 demonstrates that multiconfigurational pair-density functional theory accounts for both static and dynamic correlations in diradical hydrocarbons.
Wardzala JJ, Kim Y, Khurana R, Mandal M, Delferro M, Liu C, Gagliardi L. From Oxo to Oxyl to Biradical: Systematic Multireference Calculations of Methane Activation at MOF Nodes.. 2026. https://doi.org/10.1021/jacs.6c05408
Paper 9 utilizes multireference calculations to investigate catalytic reactions showing substantial static correlation in the reaction steps.
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