{
"target_molecule": {
"geometry": {
"atoms": ["H", "H"],
"coordinates": [
[0, 0, 0], [0, 0, 0.7]
],
"geometry_format": "CARTESIAN"
},
"basis": "sto-3g",
"charge": 0,
"multiplicity": 1,
"sz_number": 0,
"num_excited_states": 1,
"density_fitting": false
},
"output_chemical_properties": [
{
"dipole_moment": {
"parameters": [{"state": 0}]
}
},
{
"transition_dipole_moment": {
"parameters": [{"state_pair": [0, 1]}]
}
},
{
"gradient": {
"dx": 1e-6,
"parameters": [{"state": 0}],
"type": "HAMILTONIAN_NUMERICAL"
}
},
{
"hessian": {
"dx": 1e-6,
"parameters": [{"state": 0}]
}
}
],
"solver": {
"type": "SSVQE"
},
"mapping": {
"type": "JORDAN_WIGNER"
},
"cost_function": {
"type": "SIMPLE",
"SSVQE_weights": [1, 4],
"s2_number_weight": 4.0,
"sz_number_weight": 4.0
},
"ansatz": {
"type": "SYMMETRY_PRESERVING",
"is_state_real": true,
"reference_state": "RHF",
"use_random_initial_guess": true,
"randomness_variance": 0.75,
"randomness_type": "GAUSSIAN",
"depth": 4
},
"optimizer": {
"type": "BFGS",
"ftol": 1e-06,
"gtol": 1e-06,
"max_iter": 100000,
"max_fev": 100000,
"max_run": 100000
},
"post_hf_methods": [
{"type": "CASCI"}
]
}