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...
| 主要な著者: | , |
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| フォーマット: | Journal article |
| 言語: | English |
| 出版事項: |
2003
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| 要約: | 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. |
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