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What is the gold standard ab initio pair-potential between two water molecules?

I'm not an expert, but I believe Paesani's many-body MBPol force fields Acc. Chem. Res. 49, 1844 (2016) afford some of the most accurate descriptions of the interactions between water molecules. The ...
Susi Lehtola's user avatar
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1 vote

Potential of mean force from potential energy

Your definition for "a potential of mean force" (or PMF) is not correct. The PMF of a probe from a reference particle is the potential energy change when the probe is moved towards or ...
Shern Ren Tee's user avatar

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