reconstruct_t2_alpha_beta

reconstruct_t2_alpha_beta(terms, norb, nocc_a, nocc_b)

Reconstructs alpha-beta $t_2$ amplitudes from a double-factorized decomposition.

Parameters

• terms – the list of terms produced by double_factorized_t2_alpha_beta(), each a 2-tuple of the (aa, ab, bb) diagonal Coulomb matrices and the (alpha, beta) orbital rotations.
• norb – the number of orbitals.
• nocc_a – the number of alpha-occupied orbitals.
• nocc_b – the number of beta-occupied orbitals.

Returns

The reconstructed alpha-beta $t_2$ amplitudes of shape (nocc_a, nocc_b, nvrt_a, nvrt_b).