"In this first part of the notebook, we show the optimization of the H$_2$ Hamiltonian in the `STO-3G` basis at the bond length of 0.735 Angstrom. After mapping it to a four-qubit system with a parity transformation, two spin-parity symmetries are modded out, leading to a two-qubit Hamiltonian. The energy of the mapped Hamiltonian obtained is then minimized using the variational ansatz described in the introduction, and a stochastic perturbation simultaneous approximation (SPSA) gradient descent method. We stored the precomputed one- and two-body integrals and other molecular information in the `hdf5` file.\n",
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