PCM-ROKS for the Description of Charge-Transfer States in Solution: Singlet–Triplet Gaps with Chemical Accuracy from Open-Shell Kohn–Sham Reaction-Field Calculations | The Journal of Physical Chemistry Letters
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Third-Order Møller–Plesset Theory Made More Useful? The Role of Density Functional Theory Orbitals | Journal of Chemical Theory and Computation
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Target State Optimized Density Functional Theory for Electronic Excited and Diabatic States | Journal of Chemical Theory and Computation
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Predicting Excitation Energies of Twisted Intramolecular Charge-Transfer States with the Time-Dependent Density Functional Theory: Comparison with Experimental Measurements in the Gas Phase and Solvents Ranging from Hexanes to Acetonitrile | Journal of