This is a python script that computes matrix elements of the form:
Where is a hydrogen-like atomic orbital with charge Z. These matrix elements occur, for example, in Hartree-Fock theory for a multi electron atom when a hydrogen-orbital basis is used.
The program is designed to be as simple as possible to use. For example, to generate all possible matrix elements up to principal quantum number n=2 and write them to a file called 'outfile.csv', type:
python3 hydrogenic_matrix_elements.py -n_cutoff 2 -write_to_file outfile
More examples can be found in the examples directory.
The only pre-requisite is a working installation of the SymPy library, which is used for the definitions of the and for its Wigner-3j symbol function.