Radial distribution function: Difference between revisions

Revision as of 22:39, 4 March 2024

Revision as of 22:43, 4 March 2024

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The pressure of the system can also be calculated by relating the 2nd [[virial coefficient]] to <math> g(r)</math> . The pressure can be calculated as follows:<ref name=softmatter/>

:<math>P = \rho kT-\frac{2}{3}\pi\rho^2\int_{0}^{\infty}dr\frac{du(r)}{dr}r^3g(r)</math>.

Where <math>T</math> is the temperature and <math>k_B</math> is Boltzmann's constant. Note that the results of potential energy and pressure will not be as accurate as directly calculating these properties because of the averaging involved with the calculation of <math>g(r)</math>.

==Approximations==