Psi4 Installation#
Psi4 is an open-source program for computational chemistry. In order for Qiskit Nature to interface with Psi4, i.e. execute Psi4 to extract the electronic structure information necessary for the computation of the input to the quantum algorithm, Psi4 must be installed and discoverable on the system where Qiskit Nature is also installed. Therefore, Psi4 must be installed in the same python environment as Qiskit Nature.