In practical CPCM calculations, V is evaluated from the contribution of solute nuclei charge and solute electron density. To simplify the discussion, we represent the overall charge distribution of a neutral molecule as a dipole moment 𝜇 ⃗ = 𝜇𝑙 ⃗ at the center of mass of the molecule (𝑅 9⃗ %+' ), where 𝑙 ⃗ is the unit vector in the direction of the dipole moment and 𝜇 = |𝜇 ⃗|. Then the solute electrostatic potential can be expressed as