qat.fermion.chemistry.ucc.construct_ucc_ansatz
- qat.fermion.chemistry.ucc.construct_ucc_ansatz(cluster_ops: List[SpinHamiltonian], ket_hf: int, n_steps: int = 1) Program
Builds the parametric state preparation circuit implementing the provided cluster operator.
The returned function maps \(\vec{\theta}\) to a QRoutine describing \(Q\) such as:
\[Q \vert \vec{0} \rangle = \vert \mathrm{UCC} (\vec{\theta}) \rangle = e^{T(\vec{\theta})} \vert \mathrm{HF}\rangle\]- Parameters
cluster_ops (List[SpinHamiltonian]) – The cluster operators iT (note the i factor).
ket_hf (int) – The Hartree-Fock state in integer representation.
n_steps (int) – Number of trotter steps.
- Returns
The parametric program implementing the UCCSD method.
- Return type