 Quote by saray1360
Now, according to the formula of chemical potential you have kindly mentioned and the information we have from the pseudopotential of the fictitious "H", is there a way to calculate the derivative of "F" and then calculate the chmical potential of the "H"
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Well, that'd be the usual methods for determining a
functional derivative (the WP article conveniently includes some exact values of [tex]\frac{\delta E[\rho]}{\delta\rho}[/tex] for some of the simpler approximate density-functionals.) The exact density functional is not known, though.
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Also, if we calculated the chemical potential, could it be used for calculating the formation energy? Or in the formation energy real atoms are considered?
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Well, no, not really. And using the formula given requires that you already know the energy (E[rho]). But no quantum-chemical method I know of requires Z to be an integer.