In the "Gifs with examples" file you can see the results of training the neural network on various probability density functions coresponding to the electron in the hydrogen atom. Each gif has the name labeled in the form n-l-m, where n, l and m are the principal, azimuthal and magneti...
Liu W C,Clark C W.Closed-form solutions of the Schr(o)dinger equation for a model one-dimensional hydrogen atom[J].J Phys B,1992,25:L517-524.This fact, at first known only via numerical solutions, has been demonstrated analytically. See: W.C. Liu and C.W. Clark, Closed-form ...
aiqm/ani-model-zoo Develop To install TorchANI from GitHub: git clone https://github.com/aiqm/torchani.git cd torchani pip install -e . After TorchANI has been installed, you can build the documents by running sphinx-build docs build. But make sure you install dependencies: pip install -...
or about that of a fine grain of sand. That’s obviously still far smaller than a cat, but it’s a few billion times heavier than an atom or molecule, which have previously been used in these kinds of experiments. Even