UCCSD.group_excitations_if_same_ao

static UCCSD.group_excitations_if_same_ao(list_de, num_orbitals)

Define that, given list of double excitations list_de and number of spin-orbitals num_orbitals, which excitations involve the same spatial orbitals for full singlet UCCSD.

Parameters

• list_de (list) – list of double exc

• num_orbitals (int) – number of spin-orbitals

Returns

grouped list of excitations

Return type

list