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Jaime Fernández Rico, Rafael López, Ignacio Ema and Guillermo Ramírez Translation of real solid spherical harmonics International Journal of Quantum Chemistry 113

Article first published online: 29 OCT 2012 | DOI: 10.1002/qua.24356

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This article reports new general formulas for the translation of regular and irregular real spherical harmonics. These formulas allow the efficient evaluation of the potential generated by sets of multipoles at given points, which are most useful in calculations over big systems in which molecular environment is simulated in terms of pointwise multipoles.

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