By A. Pekalski, et. al.,
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Extra resources for Anomalous Diffusion - From Basics to Applns. [LNP 0519]
1954). The Forces between Molecules 31 40 Lennard-Jones potential / kB 20 3 . 5 . 10–10 6 . 5 . 6 Lennard-Jones 12-6 potential for Ar–Ar. The plot is of ε/kB against R. 9 Combination Rules A large number of L-J parameters have been deduced over the years, but they relate to pairs of like atoms. Rather than try to deduce corresponding parameters for unlike pairs, it is usual to use so-called combination rules, which enable us to relate the C12 and C6 parameters for an unlike-atom pair A–B to those of A–A and B–B.
Cm−1 , which are nearly (but not exactly) two and three times the fundamental vibration frequency. The existence of these lines in the spectrum shows that our assumption of Hooke’s law is not completely correct. 6 shows the ‘experimental’energy level diagram compared to the harmonic one.
2 Two interacting molecules Each molecule consists of a number of charged particles, and in principle we can write down an expression for the mutual potential energy of these two molecules in terms of the pair potentials between the various point charges. The basic physical idea of the multipole expansion is to make use of the fact that several of these particles go to form molecule A, and the remainder to form molecule B, each of which has a distinct chemical identity. We therefore seek to write the mutual potential energy of A and B in terms of properties of the two molecular charge distributions and their separation.