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Distributed multipole analysis -- Methods and applications Export

Molecular Physics: An International Journal at the Interface Between Chemistry and Physics, Vol. 56, No. 5. (1985), pp. 1047-1064.

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ab-initio electrostatic solvent

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The conventional multipole expansion gives a description of electrostatic interactions which is only useful at long distances. Distributed multipole analysis gives a description which is accurate at all accessible distances, and also gives a much more detailed and instructive picture of the charge distribution. We report our recent investigations into the method and comment on its limitations.


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