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Results tagged with statistical-mechanics
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user 100821
Statistical mechanics is used to describe and quantify observed (average) thermodynamic properties as they relate to microscopic states of the system in question.
2
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Why does helium have such a low van der Waals coefficient but not as low a Lennard-Jones coe...
Lennard-Jones Parameters
To quote the original source of those Lennard-Jones parameter values (Gordon and Kim),
For all the systems involving atoms larger than helium, the predictions appear quite re …
- 840
6
votes
Accepted
Practical use of the partition function in molecular simulations
The actual partition function is unimaginably formidable. For just $N$ point particles in a 3D box, it's already got $3N$ dimensions. If the box is length $L$, GROMACS would probably divide the box in …
- 840