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merged 3 commits into from
Sep 30, 2025
Merged

fix-broken-link-xas #1562

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a3f44b0
fix link
ashishks0522 Sep 29, 2025
e888c86
fix link
ashishks0522 Sep 29, 2025
5a2b5f2
update DOM
ashishks0522 Sep 30, 2025
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4 changes: 2 additions & 2 deletions demonstrations_v2/tutorial_xas/demo.py
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Expand Up @@ -143,7 +143,7 @@
Ground state calculation
~~~~~~~~~~~~~~~~~~~~~~~~

If you haven’t, check out the demo `“Initial state preparation for quantum chemistry” <demos/tutorial_initial_state_preparation>`__.
If you haven’t, check out the demo :doc:`Initial state preparation for quantum chemistry <demos/tutorial_initial_state_preparation>`.
We will be expanding on that demo with code to import a state from the `complete active space configuration interaction <https://pyscf.org/user/mcscf.html>`__ (CASCI) methods of PySCF, where we restrict the set of active orbitals used in the calculation.

We start by creating our molecule object using the `Gaussian type orbitals <https://en.wikipedia.org/wiki/Gaussian_orbital>`__ module ``pyscf.gto``, and obtaining the Hartree-Fock molecular orbitals with the `self-consistent field methods <https://pyscf.org/user/scf.html>`__ ``pyscf.scf``.
Expand Down Expand Up @@ -317,7 +317,7 @@ def initial_circuit(wf):
# Next we will discuss how to prepare the electronic Hamiltonian for efficient time evolution in the Hadamard test circuit.
# We will perform compressed double factorization (CDF) on the Hamiltonian to approximate it as a series of fragments, each of which can be fast-forwarded in a Trotter product formula.
#
# If you haven’t yet, go read the demo `“How to build compressed double-factorized Hamiltonians” <demos/tutorial_how_to_build_compressed_double_factorized_hamiltonians>`__, because that is exactly what we are going to do!
# If you haven’t yet, go read the demo :doc:`How to build compressed double-factorized Hamiltonians <demos/tutorial_how_to_build_compressed_double_factorized_hamiltonians>`, because that is exactly what we are going to do!
# You could also look at Section III in Ref. [#Fomichev2025]_.
#
# Electronic Hamiltonian
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2 changes: 1 addition & 1 deletion demonstrations_v2/tutorial_xas/metadata.json
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Expand Up @@ -11,7 +11,7 @@
"executable_stable": true,
"executable_latest": true,
"dateOfPublication": "2025-08-29T09:00:00+00:00",
"dateOfLastModification": "2025-09-22T15:48:14+00:00",
"dateOfLastModification": "2025-09-30T15:48:14+00:00",
"categories": [
"Quantum Chemistry",
"Algorithms"
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