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Axilrod–Teller potential

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Three-body potential in molecular physics
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The Axilrod–Teller potential in molecular physics, is a three-body potential that results from a third-order perturbation correction to the attractive London dispersion interactions (instantaneous induced dipole-induced dipole)

V i j k = E 0 [ 1 + 3 cos γ i cos γ j cos γ k ( r i j r j k r i k ) 3 ] {\displaystyle V_{ijk}=E_{0}\left}

where r i j {\displaystyle r_{ij}} is the distance between atoms i {\displaystyle i} and j {\displaystyle j} , and γ i {\displaystyle \gamma _{i}} is the angle between the vectors r i j {\displaystyle \mathbf {r} _{ij}} and r i k {\displaystyle \mathbf {r} _{ik}} . The coefficient E 0 {\displaystyle E_{0}} is positive and of the order V α 3 {\displaystyle V\alpha ^{3}} , where V {\displaystyle V} is the ionization energy and α {\displaystyle \alpha } is the mean atomic polarizability; the exact value of E 0 {\displaystyle E_{0}} depends on the magnitudes of the dipole matrix elements and on the energies of the p {\displaystyle p} orbitals.

References


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