========================================================================
 ADAPT-VQE (QubitPool, 4 qubits)
========================================================================

[METADATA]
units: Angstrom
n_atoms: 2
geometry:
  H       6.0000000000     6.0000000000     5.6300000000
  H       6.0000000000     6.0000000000     6.3700000000
cell_present: True
cell_vectors:
  a1 = [ 12.0000000000   0.0000000000   0.0000000000]
  a2 = [  0.0000000000  12.0000000000   0.0000000000]
  a3 = [  0.0000000000   0.0000000000  12.0000000000]
cell_lengths: a=12.0000000000 b=12.0000000000 c=12.0000000000
cell_angles: alpha=90.000000 beta=90.000000 gamma=90.000000

[OPTIMIZATION SETUP]
classical_optimizer: COBYLA
energy_unit: eV
max_iterations: 15
gradient_tol: 0.0001
reference_energy_eV: -29.5361990146
initial_ansatz: |HF> (0 parameters)
mapping: jordan_wigner
num_particles: (1, 1)
pool_size: 12

------------------------------------------------------------------------
[ITERATION 1]
selected_operator: iP[XXYX]
  kind: pauli
  gradient: 2.795877e-01
  pauli: +1j XXYX
expressivity_E: 1.934351
energy_eV: -29.9604463345
num_parameters: 1
cnot_count: 6
circuit_depth: 9
total_gates: 15
one_qubit_gates: 9
pool_size: 12
operator_pool:
  [  0] iP[YXII]  |grad|=0.000000e+00
        pauli: +1j YXII
  [  1] iP[XYII]  |grad|=0.000000e+00
        pauli: +1j XYII
  [  2] iP[IIYX]  |grad|=0.000000e+00
        pauli: +1j IIYX
  [  3] iP[IIXY]  |grad|=0.000000e+00
        pauli: +1j IIXY
  [  4] iP[XXYX]  |grad|=2.795877e-01 (selected)
        pauli: +1j XXYX
  [  5] iP[YXXX]  |grad|=2.795877e-01
        pauli: +1j YXXX
  [  6] iP[YXYY]  |grad|=2.795877e-01
        pauli: +1j YXYY
  [  7] iP[XXXY]  |grad|=2.795877e-01
        pauli: +1j XXXY
  [  8] iP[YYYX]  |grad|=2.795877e-01
        pauli: +1j YYYX
  [  9] iP[XYXX]  |grad|=2.795877e-01
        pauli: +1j XYXX
  [ 10] iP[XYYY]  |grad|=2.795877e-01
        pauli: +1j XYYY
  [ 11] iP[YYXY]  |grad|=2.795877e-01
        pauli: +1j YYXY

========================================================================
[SUMMARY]
converged: True
classical_optimizer: COBYLA
optimal_energy_eV: -29.9604463345
reference_energy_eV: -29.5361990146
correlation_energy_eV: -0.4242473199
num_operators: 1
num_parameters: 1
final_expressivity_E: 1.934351
final_max_gradient: 8.095270e-05
cost_evaluations: 23
cnot_count: 6
circuit_depth: 9
one_qubit_gates: 9
total_gates: 15
operator_sequence: iP[XXYX]
========================================================================
