  Frustrated triangular molecular magnets are a very important class of
magnetic molecules since the absence of inversion symmetry allows an external
electric field to couple directly with the spin chirality that characterizes
their ground state. The spin-electric coupling in these molecular magnets leads
to an efficient and fast method of manipulating spin states, making them an
exciting candidate for quantum information processing. The efficiency of the
spin-electric coupling depends on the electric dipole coupling between the
chiral ground states of these molecules. In this paper, we report on
first-principles calculations of spin-electric coupling in $\{V_3\}$ triangular
magnetic molecule. We have explicitly calculated the spin-induced charge
redistribution within the magnetic centers that is responsible for the
spin-electric coupling. Furthermore, we have generalized the method of
calculating the strength of the spin-electric coupling to calculate any
triangular spin 1/2 molecule with $C_3$ symmetry and have applied it to
calculate the coupling strength in $\{V_{15}\}$ molecular magnets.
