models:analytic
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revisionNext revision | Previous revision | ||
models:analytic [2018/09/23 18:22] – removed daniel | models:analytic [2019/02/23 09:52] (current) – daniel | ||
---|---|---|---|
Line 1: | Line 1: | ||
+ | ~~NOTOC~~ | ||
+ | ====== Analytic potentials ====== | ||
+ | ---- | ||
+ | Analytic potentials use the parameters $\alpha_i$ as arguments to analytic function templates. | ||
+ | A well-known example for this would be the Lennard-Jones potential, which uses two parameters $\epsilon$ and $\sigma$ to define a potential: | ||
+ | |||
+ | $$V(r)=4\varepsilon\left[\left(\frac{\sigma}{r}\right)^{12}-\left(\frac{\sigma}{r}\right)^{6}\right]$$ | ||
+ | |||
+ | {{ : | ||
+ | |||
+ | Using an analytic form for $V(r)$ allows to define the atomic interaction for all possible distances between atoms with very few parameters compared to tabulated potentials. The problem of local parameters (see [[tabulated|Tabulated potentials]]) is also not present, parameters are usually global parameters. In certain cases it is even possible to attribute some physical meaning to individual parameters. | ||
+ | |||
+ | The analytic potential implementation in //potfit// has additional features which are only useful with this kind of interactions. They are described on the [[potfiles:: |
models/analytic.1537719772.txt.gz · Last modified: 2018/09/23 18:22 by daniel