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README.md

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@@ -59,3 +59,10 @@ pyscf_scipy_backend = 'jax'
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pyscfad_scf_implicit_diff = True
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pyscfad_ccsd_implicit_diff = True
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```
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Citing PySCFAD
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--------------
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The following paper should be cited in publications utilizing the PySCFAD program package:
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[Differentiable quantum chemistry with PySCF for molecules and materials at the mean-field level and beyond](https://doi.org/10.1063/5.0118200),
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X. Zhang, G. K.-L. Chan, *J. Chem. Phys.*, **157**, 204801 (2022)

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