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A reciprocal space based method for treating long range interactions in ab initio and...
- Source :
-
Journal of Chemical Physics . 2/8/1999, Vol. 110 Issue 6, p2810. 12p. - Publication Year :
- 1999
-
Abstract
- Presents a reciprocal space based formalism for treating long range forces in clusters. Incorporation of the formalism into plane-wave based density function theory calculations, Ewald summation calculations and smooth particle-mesh Ewald calculations to yield accurate and numerically efficient descriptions of long range interactions in cluster systems.
- Subjects :
- *MICROCLUSTERS
*DENSITY functionals
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 110
- Issue :
- 6
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 4262253
- Full Text :
- https://doi.org/10.1063/1.477923