Ewald summation of electrostatic multipole interactions up to the quadrupolar level

Ewald summation of electrostatic multipole interactions up to the quadrupolar level

Ewald expressions were derived for the infinite lattice sums of electrostatic multipolar interactions, up to the quadrupolar level. The Ewald expressions for charge-quadrupole, dipole-quadrupole, and quadrupole-quadrupole interactions were detailed. Ewald summations of charge-dipole and dipole-dipol...

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Dades bibliogràfiques
Autors principals:	Aguado, A, Madden, P
Format:	Journal article
Idioma:	English
Publicat:	2003

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