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...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
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2003
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| _version_ | 1826279196902555648 |
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| author | Aguado, A Madden, P |
| author_facet | Aguado, A Madden, P |
| author_sort | Aguado, A |
| collection | OXFORD |
| description | 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. |
| first_indexed | 2024-03-06T23:55:10Z |
| format | Journal article |
| id | oxford-uuid:73f7d72e-ab00-4c4c-a81e-d5698abd3779 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T23:55:10Z |
| publishDate | 2003 |
| record_format | dspace |
| spelling | oxford-uuid:73f7d72e-ab00-4c4c-a81e-d5698abd37792022-03-26T19:59:45ZEwald summation of electrostatic multipole interactions up to the quadrupolar levelJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:73f7d72e-ab00-4c4c-a81e-d5698abd3779EnglishSymplectic Elements at Oxford2003Aguado, AMadden, PEwald 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. |
| spellingShingle | Aguado, A Madden, P Ewald summation of electrostatic multipole interactions up to the quadrupolar level |
| title | Ewald summation of electrostatic multipole interactions up to the quadrupolar level |
| title_full | Ewald summation of electrostatic multipole interactions up to the quadrupolar level |
| title_fullStr | Ewald summation of electrostatic multipole interactions up to the quadrupolar level |
| title_full_unstemmed | Ewald summation of electrostatic multipole interactions up to the quadrupolar level |
| title_short | Ewald summation of electrostatic multipole interactions up to the quadrupolar level |
| title_sort | ewald summation of electrostatic multipole interactions up to the quadrupolar level |
| work_keys_str_mv | AT aguadoa ewaldsummationofelectrostaticmultipoleinteractionsuptothequadrupolarlevel AT maddenp ewaldsummationofelectrostaticmultipoleinteractionsuptothequadrupolarlevel |