Documentation for basis rotation ansatz #97
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chmwzc
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Apr 22, 2024
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| from qibochem.driver.molecule import Molecule | ||
| from qibochem.ansatz import basis_rotation, ucc | ||
| from qibo import Circuit, gates, models |
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| from qibochem.driver.molecule import Molecule | |
| from qibochem.ansatz import basis_rotation, ucc | |
| from qibo import Circuit, gates, models | |
| from qibochem.driver import Molecule | |
| from qibochem.ansatz import basis_rotation, hf_circuit | |
| from qibo import models |
| h3p.run_pyscf(max_scf_cycles=1) | ||
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| e_init = h3p.e_hf | ||
| h3p_sym_ham = h3p.hamiltonian("sym", h3p.oei, h3p.tei, 0.0, "jw") |
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| h3p_sym_ham = h3p.hamiltonian("sym", h3p.oei, h3p.tei, 0.0, "jw") | |
| h3p_sym_ham = h3p.hamiltonian() |
chmwzc
reviewed
Apr 22, 2024
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| circuit = Circuit(nqubits) | ||
| for _i in range(mol.nelec): | ||
| circuit.add(gates.X(_i)) |
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| circuit = Circuit(nqubits) | |
| for _i in range(mol.nelec): | |
| circuit.add(gates.X(_i)) | |
| circuit = hf_circuit(nqubits, mol.nelec) |
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Updates to documentation for latest rewrite of basis rotation ansatz based on Clements QR decompositions of the orbital optimization unitary.