  The Hamaker constants, which are coefficients providing quantitative
information on intermolecular forces, were calculated for a number of different
materials according to the Lifshitz theory via simple DFT calculations without
any experimental measurements being performed. The physical properties
(polarizability, dipole moment, molecular volume, and vibrational frequency) of
organic molecules were calculated using the B3LYP density functional and the
aug-cc-pVDZ basis set. Values for the Hamaker constants were obtained using the
approximation of the Lorentz-Lorenz equation and Onsager's equation with these
properties. It was found that, in the case of `non-associative' materials, like
hydrocarbons, ethers, ketones, aldehydes, carboxylic acids, esters, nitriles,
and hydrosilanes, and halides, the calculated Hamaker constants were similar in
value to their experimentally determined counterparts. Moreover, with this
calculation method, it is easy to create the molecular model and the CPU time
can be shortened.
