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McDougall Pedersen posted an update 1 year, 5 months ago
The extension of the frozen-density embedding theory for nonvariational methods [J. Chem. Theory Comput. 2020, 16, 6880] was utilized to evaluate intermolecular interaction energies for complexes in the Zhao-Truhlar basis set. In the applied method (FDET-MP2-FAT-LDA), the same auxiliary system is used to evaluate the correlation energy by means of…[Read more]
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McDougall Pedersen became a registered member 1 year, 5 months ago

