4
votes
Accepted
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}...
- 1,175
2
votes
Accepted
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 ...
- 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 ...
- 41
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