Buckingham Potential

Buckingham potential is a potential energy function proposed by the American physicist Richard Buckingham as an approximation for the energy of van der Waals forces , alternative to the Lennard-Jones potential ^[1] .

${\displaystyle \mathrm{<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">U</span></span>}<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">(</span></span>\mathrm{<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">r</span></span>}<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">)</span></span><span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">=</span></span>\mathrm{<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">A</span></span>}\mathrm{<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">exp</span></span>}<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;"></span></span><span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">(</span></span><span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">-</span></span>\mathrm{<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">B</span></span>}\mathrm{<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">r</span></span>}<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">)</span></span><span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">-</span></span>\frac{\mathrm{<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">C</span></span>}}{{\mathrm{<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">r</span></span>}}^{\mathrm{<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">6</span></span>}}}}${\ displaystyle U (r) = A \ exp \ left (-Br \ right) - {\ frac {C} {r ^ {6}}}}

Where${\displaystyle \mathrm{<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">A</span></span>}<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">,</span></span>\mathrm{<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">B</span></span>}<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">,</span></span>\mathrm{<span\; class="mwe-math-element"><span\; class="mwe-math-mathml-inline\; mwe-math-mathml-a11y"\; style="display:\; none;">C</span></span>}}$ {\ displaystyle A, B, C} - constants ^[2] ..

This expression is valid only for nonpolar spherically symmetric molecules.