4 votes

Questions regarding a derivation in Understanding Molecular Simulation: From Algorithms to Applications, 3rd ed, pp 141-143

For the first question, note that if $f$ is a differentiable function then \begin{equation} \begin{split} -\mathbf y \cdot \nabla_{\mathbf y} f(\mathbf x - \mathbf y) &= -\sum_i y^i \frac{\partial}...
ummg's user avatar
  • 1,175
2 votes

Fluctuations of the center of mass of a confined fluid?

At equilibrium, if you believe Gibbs statistical mechanics, you expect the velocities to be uncorrelated since the kinetic part of the hamiltonian is just the sum of the kinetic energies of your ...
Syrocco's user avatar
  • 844
1 vote

Theoretical calculation of Electron Paramagnetic Resonance (EPR) spectra

Your instincts are largely correct, but I'll clarify and provide some additional context for electron paramagnetic resonance (EPR) or electron spin resonance (ESR) spectroscopy. In EPR/ESR ...
user382541's user avatar

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