QFT for STO-3g handling

[gravityshouldbenaut]

This is a list of tasks for the completion of an STO-3g shell setup being evaluated with the Quantum Fourier Transform (QFT), as detailed in this paper (https://www.jstor.org/stable/pdf/3843819.pdf?casa_token=_1ViHiBjoDAAAAAA:K0XYt8Mn5_7MaIBxvSOhggNc-ljh-UMcQC8d7gkCQY_HJRrIayyzad5KgJfkA101iq8wpkJT3024cVWlUUvO5g2hVD99T2Pa4uXt4rHFBoo9kKeACg ).

• Write the base QFT circuit in Pennylane (should just be running the function) https://pennylane.readthedocs.io/en/stable/code/api/pennylane.QFT.html
• Setup the circuit to run with the Tensorflow backend https://pennylane.readthedocs.io/en/stable/introduction/interfaces/tf.html
• Parse atoms using Biopython https://biopython.org/docs/latest/api/Bio.PDB.Atom.html
• Get Gaussian bases for each of these atoms (you can use https://github.com/JFurness1/AtomicOrbitals or table from psi4 https://github.com/psi4/psi4/blob/master/psi4/share/psi4/basis/sto-3g.gbs)
  -Input bases onto QFT circuit
  -Inverse fourier transform of these outputs to regain coordinate space

[shuhul]

Done with base QFT and Tensorflow backend

[gravityshouldbenaut]

Awesome! Still need to set up basis states