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Calculation of the reaction field due to off-center point multipoles.
- Source :
-
Journal of Chemical Physics . 7/8/1997, Vol. 107 Issue 2, p481. 12p. 2 Graphs. - Publication Year :
- 1997
-
Abstract
- Presents general methods for calculating the reaction field generated by a set of off-center point multipoles in a spherical cavity. Generalization of Kirkwood's original theory for an arbitrary charge distribution; Incorporation of reaction field effects in computation of induced dipole moments; Use of reaction field energy terms with empirical potential energy functions.
- Subjects :
- *DIPOLE moments
*POTENTIAL theory (Physics)
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 107
- Issue :
- 2
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 4374718
- Full Text :
- https://doi.org/10.1063/1.474409