========================================================================
 ADAPT-VQE (FermionicPool, 2 qubits)
========================================================================

[METADATA]
units: Angstrom
n_atoms: 2
geometry:
  H       5.0000000000     5.0000000000     4.5010578620
  H       5.0000000000     5.0000000000     5.4989458567
cell_present: True
cell_vectors:
  a1 = [ 10.0000000000   0.0000000000   0.0000000000]
  a2 = [  0.0000000000  10.0000000000   0.0000000000]
  a3 = [  0.0000000000   0.0000000000  10.0000000000]
cell_lengths: a=10.0000000000 b=10.0000000000 c=10.0000000000
cell_angles: alpha=90.000000 beta=90.000000 gamma=90.000000

[OPTIMIZATION SETUP]
classical_optimizer: L-BFGS-B
energy_unit: eV
max_iterations: 10
gradient_tol: 1e-05
reference_energy_eV: -29.2023843502
initial_ansatz: |HF> (0 parameters)
mapping: parity
num_particles: (1, 1)
pool_size: 3

------------------------------------------------------------------------
[ITERATION 1]
selected_operator: D(0,2->1,3)
  kind: fermionic-double
  gradient: 2.624921e-01
  pauli: -0.5j XY  +0.5j YX
expressivity_E: 1.934351
energy_eV: -29.7916502689
num_parameters: 1
cnot_count: 4
circuit_depth: 9
total_gates: 12
one_qubit_gates: 8
pool_size: 3
operator_pool:
  [  0] S(0->1)  |grad|=6.234258e-18
        pauli: +1j YI
  [  1] S(2->3)  |grad|=6.234258e-18
        pauli: -1j IY
  [  2] D(0,2->1,3)  |grad|=2.624921e-01 (selected)
        pauli: -0.5j XY  +0.5j YX

========================================================================
[SUMMARY]
converged: True
classical_optimizer: L-BFGS-B
optimal_energy_eV: -29.7916502689
reference_energy_eV: -29.2023843502
correlation_energy_eV: -0.5892659186
num_operators: 1
num_parameters: 1
final_expressivity_E: 1.934351
final_max_gradient: 2.262851e-07
cost_evaluations: 10
cnot_count: 4
circuit_depth: 9
one_qubit_gates: 8
total_gates: 12
operator_sequence: D(0,2->1,3)
========================================================================
