New Features
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The PySCFGroundStateSolver now also computes the magnetization (
$S^z$ ) and total angular momentum ($S^2$ ) values for all computes roots. In doing so, it properly takes the alpha-beta overlap matrix from the qiskit_nature.second_q.properties.AngularMomentum.overlap property into account. When this overlap is non-unitary, the spin-contamination within the active subspace is computed correctly. For more details, see also: -
Added support for Python 3.12.