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20052026
most citedPath integral virial estimator based on the scaling of fluctuation coordinates: Application to quantum clusters with fourth-order propagators

69 citations · 150 across the 5 of their papers we have counts for

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physics.chem-ph2008★ 58 cited

Variational and perturbative formulations of QM/MM free energy with mean-field embedding and its analytical gradients

Takeshi Yamamoto

Conventional quantum chemical solvation theories are based on the mean-field embedding approximation. That is, the electronic wavefunction is calculated in the presence of the mean…