Born-Kirkwood-Onsager approach

G. E. Chudinov and D. V. Napolov, Chem. Phys. Lett., 201, 250 (1993). A New Method of Geometry Optimization for Molecules in Solution in the Framework of the Born-Kirkwood-Onsager Approach. 

As emphasized, the Born—Kirkwood—Onsager (BKO) approach includes only the solute s monopole and dipole interaction with the continuum. That is, the full classical multipolar expansion of the total solute charge distribution is truncated at the dipole term. This simplification of the electronic distribution fails most visibly for neutral molecules whose dipole moments vanish as a result of symmetry. A distributed monopole or distributed dipole model is more... 

Reaction Fields from Higher Order Multipolar Expansions Generalizations of the Born—Kirkwood—Onsager model have appeared which extend the multipole series to arbitrarily high order.20,62,144,234-236 ybis approach yields... 

Born s idea was taken up by Kirkwood and Onsager [24,25], who extended the dielectric continuum solvation approach by taking into account electrostatic multipole moments, Mf, i.e., dipole, quadrupole, octupole, and higher moments. Kirkwood derived the general formula ... 

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