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Franck Condon Principle and Born Oppenheimer approximation
My question here is purely fundamental. I am confused with the concept in Franck Condon (FC) principle and Born Oppenheimer (BO) approximation. The FC principle is in accordance with the BO ...
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What is the “direction” of the transition dipole moment? (Understanding Eq. 9.29, Charge and Energy Transfer 3rd Ed, May & Kuhn)
For a real vector $\mathbf{r}$, the direction is given by: $\hat{\mathbf{n}}=\mathbf{r}/\left|\mathbf{r}\right|$.
The transition dipole moment is a complex vector. How do you define its direction?
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When is classical mechanics valid for describing motion of atoms?
In Molecular Dynamics simulations, the Newton's equation of motion is used to calculate the time evolution of system. Once, I read in an introductory text that when the thermal de Broglie wavelength ...
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Phase transition through Molecular Dynamics Studies
I am doing non-equilibrium molecular dynamics to see the phase transition of single crystal metals in extreme condition (shock compression). I am using NVE to conserve total energy, every thing going ...
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Reaction coordinate as a function of atomic positions
I'm going over some (molecular dynamics) related literature - specifically the derivation of the Weighted Histogram Analysis Method (WHAM).
As a quick backdrop WHAM is a method for stitching ...
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Thermionic emission, delayed emission and predissociation
In molecular photodissociation, the thermionic emission, delayed emission and predissociation are the same? otherwise, what is the difference between them?
My question is not about the solids, but I ...
