New answers tagged interatomic-potentials
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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 ...
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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 ...
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