UCCSD.group_excitations

static UCCSD.group_excitations(list_de, num_orbitals)

Groups the excitations and gives out the remaining ones in the list_de_temp list because those excitations are controlled by the same parameter in full singlet UCCSD unlike in usual UCCSD where every excitation has its own parameter.

Parameters

• list_de (list) – list of the double excitations grouped

• num_orbitals (int) – number of spin-orbitals (qubits)

Returns

list_same_ao_group, list_de_temp, the grouped double_exc (that involve same spatial orbitals)

Return type

tuple