The calculation of dipole moment by MEEM
The dipole moment is a physical quantity, which can indicate the charge distribution of the molecule. The value of dipole moment can be conferred from the situation of the molecular symmetry, and vice versa. Since the dipole moment links up the microcosmic structure and the macroscopic performance characteristic, it is very important to calculate the dipole moment of molecules. While conventional ab initio methods is too time-consuming to afford, because th...