Hydrogen molecule quantum monte carlo.
Background
Here's the trial wavefunction:Here's the history of energy estimates:
Final energy:
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Atomistic Simulation of MetalsThis presents an interactive simulation of atoms making up a nanoscopic particle of metal. |
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Physics Algorithms BookThis is a work in progress to write a book on physics algorithms. At the moment, it is about 1/3 finished though, but the latest version can be downloaded for free. |