Add corrections to pyscf dipole coeffs (#3908)

* add small corrections to pyscf dipole results * update changelog * Apply suggestions from code review Co-authored-by: Utkarsh <utkarshazad98@gmail.com> * trigger ci --------- Co-authored-by: Utkarsh <utkarshazad98@gmail.com> Co-authored-by: lillian542 <Lillian.frederiksen@xanadu.ai>
PennyLaneAI · Mar 20, 2023 · fc66efb · fc66efb
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diff --git a/doc/releases/changelog-dev.md b/doc/releases/changelog-dev.md
@@ -128,6 +128,10 @@
 * Fixed parameter broadcasting support with `qml.counts` in most cases, and introduced explicit errors otherwise.
   [(#3876)](https://github.com/PennyLaneAI/pennylane/pull/3876)
 
+* A correction is added to the reference values in `test_dipole_of` to account for small changes
+  (~2e-8) in the computed dipole moment values, resulting from the new [PySCF 2.2.0](https://github.com/pyscf/pyscf/releases/tag/v2.2.0) release.
+  [(#3908)](https://github.com/PennyLaneAI/pennylane/pull/3908)
+
 <h3>Contributors</h3>
 
 This release contains contributions from (in alphabetical order):

diff --git a/tests/qchem/of_tests/test_dipole_of.py b/tests/qchem/of_tests/test_dipole_of.py
@@ -164,9 +164,9 @@
 x_h2o = np.array([0.0, 1.431, -0.887, 0.0, -1.431, -0.887, 0.0, 0.0, 0.222])
 
 coeffs_h2o = []
-coeffs_h2o.append([-0.03700799, 0.03700799, 0.03700799, -0.03700799])
+coeffs_h2o.append([-0.03700797, 0.03700797, 0.03700797, -0.03700797])
 coeffs_h2o.append([0.0])
-coeffs_h2o.append([0.28530454, 0.111, 0.111, -0.37101744, -0.37101744])
+coeffs_h2o.append([0.28530461, 0.111, 0.111, -0.3710174, -0.3710174])
 
 ops_h2o = []
 ops_h2o.append(