Questions tagged [electrostatic]

Questions concerning the various electrostatic models of materials.

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Calculating the electrostatic potential of a molecule: what is a good 3D Poisson equation solver?

I was wondering if anybody can recommend an easy-to-use library/program to solve the 3D Poisson equation $\Delta V(r,\theta,\phi) = \rho(r,\theta,\phi)$ with vanishing solutions at infinity: $V(r,\...
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How to plot the electrostatic potential calculated with XTB?

Following this question, I am interested now in plotting the electrostatic potential as calculated with the XTB program. I found how to set up the calculation but as a result, I got three files that I ...
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References for Electrostatics Calculations Used in Molecular Dynamics

I'm looking for classic references that describe the usual electrostatic contributions which have to be calculated in molecular dynamics simulations. I find it very hard to apprehend what different ...