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. Author manuscript; available in PMC: 2009 Sep 9.
Published in final edited form as: J Chem Theory Comput. 2008 Sep 9;4(9):1409–1422. doi: 10.1021/ct800109s

Figure 2.

Figure 2

The first and second order (mass-scaled) centroid potentials (W1 and W2) from the KP theory compared with the Morse potential (V) for hydrogen fluoride as a function of the centroid bond length at 200 K.