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...

Deskribapen osoa

Xehetasun bibliografikoak
Egile Nagusiak: Aguado, A, Madden, P
Formatua: Journal article
Hizkuntza:English
Argitaratua: 2003
Deskribapena
Gaia: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-dipole interactions were rederived to provide a unified derivation of all multipolar contributions.