pytc.legacy.lmat.calc_L_symmetric

pytc.legacy.lmat.calc_L_symmetric(rho_paired, v_bra, weights, v_ket=None)

Compute the symmetrized three-electron matrix elements.

Parameters:

• rho_paired – Array of shape (Nb*Nb, N_grid) containing orbital products

• v_bra – Array of shape (Nb*Nb, N_grid, 3) containing bra-side vectors

• weights – Array of shape (N_grid,) containing the weights

• v_ket – Optional array of shape (Nb*Nb, N_grid, 3), defaults to v_bra

Returns:

Array of shape (Nb*Nb, Nb*Nb, Nb*Nb) containing the symmetrized L matrix elements

Return type:

l_sym