Comments (2)
@imagoulas Please provide a minimal example of this bug.
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This bug does not appear to be directly related to the use of frozen orbitals, but is directly related to the fact that frozen orbitals expand the systems to which QPE may be applied. Here's a fun example:
E_fci = -20
coef_vec = [E_fci, 0]
circ_vec = [
Circuit( ), build_circuit('Z_1')
]
H2_qubit_hamiltonian = QubitOperator()
for i in range(len(circ_vec)):
H2_qubit_hamiltonian.add(coef_vec[i], circ_vec[i])
ref = [1,0]
print('\nBegin QPE test')
print('----------------------')
# make test with algorithm class
mol = Molecule()
mol.hamiltonian = H2_qubit_hamiltonian
alg = QPE(mol, reference=ref, trotter_number=2)
alg.run(t = 0.4,
nruns = 100,
success_prob = 0.9,
num_precise_bits = 12)
Egs = alg.get_gs_energy()
assert Egs == approx(E_fci, abs=1.1e-3)
By all accounts, the eigenvalue to approximate is E_fci
, but QPE
returns -11.41617264484267
. I can only conclude the QPE algorithm is severely bugged, and it slipped through tests.
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