UCCSD.compute_excitation_lists_singlet

static UCCSD.compute_excitation_lists_singlet(double_exc, num_orbitals)

Outputs the list of lists of grouped excitation. A single list inside is controlled by the same parameter theta.

Parameters

• double_exc (list) – exc.group. [[0,1,2,3], […]]

• num_orbitals (int) – number of molecular orbitals

Returns

de_groups grouped excitations

Return type

list