Journal article icon

Journal article

Ewald summation of electrostatic multipole interactions up to the quadrupolar level

Abstract:
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.
Publication status:
Published

Actions


Access Document


Publisher copy:
10.1063/1.1605941

Authors


More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Materials
Journal:
JOURNAL OF CHEMICAL PHYSICS
Volume:
119
Issue:
14
Pages:
7471-7483
Publication date:
2003-10-08
DOI:
ISSN:
0021-9606
URN:
uuid:73f7d72e-ab00-4c4c-a81e-d5698abd3779
Source identifiers:
369768
Local pid:
pubs:369768
Language:
English

Terms of use


Metrics



If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP