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I have found the following formula for the repulsion potential due to the overlap of the electron clouds arising from Pauli's exclusion principle:

$$V = A\exp(-r/\phi)$$

where r is the distance between ions. In terms of energy:

$$E = A\exp(-r/\phi)/r$$

What would be the final force expression?

I am calculating Pauli's pseudoforce (it's not a real force because the repulsion arises from electromagnetic interactions) for Na, Ca and K ions. I need the values for parameters $A$ and $\phi$, which are commonly fitted to energy curves. Do you know of any tables which have these parameters?. If so, could you please give me the references?

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  • $\begingroup$ Can you cite the reference? @user44274 $\endgroup$ – SRS Jun 30 '18 at 15:18

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