Atoms are the soft balls

The most commonly used Lennard-Jones potential.

E = A/r12 - B/r6

at A = 1, B = 1

A and B parameters are determined by fitting the models of liquids to experimental data (OPLS).

In the absence of such possibility they are using quantum mechanics, but do not expect the accuracy above 5-10%.

soft_balls.txt · Last modified: 2014/01/25 04:45 (external edit)
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