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physics.chem-ph2026
Adding Temperature to the Adiabatic Connection: Hybrid Functionals for Static and Dynamic Correlation
Florian Matz, Paul G. Graf, Markus Penz +1
Capturing static and dynamic electron correlation simultaneously at manageable computational cost remains a key challenge in electronic structure theory. Motivated by the recurring…
physics.chem-ph2026
Capturing electron correlation at mean-field cost: Assessment of i-DMFT and the underlying correlation conjecture
Paul G. Graf, Florian Matz, Lexin Ding +3
Accurately treating strong electron correlation in quantum chemistry typically requires multireference wave-function methods with steep computational scaling. The recently proposed…