# Units (Energy) ## eV and cal $1$eV = $1.6\times 10^{-19}$ J $1$J = $0.24$ cal Therefore, $1$eV = $1.6\times 10^{-19}$ J = $0.384 \times 10^{-19}$ cal. If the number of pariticle is 1 mol, then $0.384 \times 10^{-19} \times 6 \times 10^{23}$ cal/mol = 23 kcal/mol. Thus, a paritical that its energy is 1eV, is eqiuvalent to 23 kcal/mol. \begin{eqnarray} 1\mathrm{eV} = 23 \mathrm{kcal/mol} \end{eqnarray} ## Hartree and cal 1Ha = 27.2eV Thus, \begin{eqnarray} 1\mathrm{Ha} = 620 \mathrm{kcal/mol} \end{eqnarray} \begin{eqnarray} 1\mathrm{mHa} = 0.6 \mathrm{kcal/mol} \end{eqnarray}