Tagged Questions

2
votes
1answer
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Implementing simple atom model using density functional theory (DFT)

I am trying to write computer code which will find the energy and density function for a atom with Z protons and N electrons. I am working in 1D for simplicity and would like to make the overall code ...
2
votes
2answers
295 views

Software for simulating 3D Newtonian dynamics of simple geometric objects (with force fields)

I'm looking for something short of a molecular dynamics package, where I can build up simple geometric shapes with flexible linkages/etc and simulate the consequences of electrostatic repulsion ...