Do we know for sure that all atomic and molecular wavefunctions decay exponentially as r goes to infinity?
How might inclusion of a Grimme dispersion correction influence a simulation of a dense liquid that is not water?
In which theoretical framework does the size of an atom depend on the temperature of the gas (Bose-Einstein condensates)
When should I use Charge-Charge Interactions, Charge-Dipole Interactions, and Dipole-Dipole Interactions in molecular simulation?
What is the purpose of a kinetically resolved activation barrier in cluster-based kinetic Monte Carlo simulations?
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