A 10000 particle molecular dynamics model with long range forces
β Scribed by R.W. Hockney; S.P. Goel; J.W. Eastwood
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 288 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
A technique is described for the computer simulation of the motion of 10000 simulated molecr:les. The number of computer operations per time-s:ep is proportional to the number of simuhred particles even though the forcr of interaction may be long range and no force cut-off is employed.
π SIMILAR VOLUMES
## Abstract Normal coordinate calculations have been performed for urea and deuterated urea in the crystalline state. We have used the modified UreyβBradleyβShimanouchi intramolecular potential energy function and a rather sophisticated intermolecular energy function to reproduce I.R. and Raman fre