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.
โฆ LIBER โฆ
Stochastic dynamics of a test particle in fluids with weak long-range forces
โ Scribed by J. Piasecki; G. Szamel
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 458 KB
- Volume
- 143
- Category
- Article
- ISSN
- 0378-4371
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In the application of long range corrections to calculation of potential energy and pressure utilizing molecular dynamics simulation, it is common to use a longer distance of cut-off to obtain more accurate results. The radial distribution function is assumed to be equal to unity in conventional ter