pytc.legacy.lmat.calc_L¶

pytc.legacy.lmat.calc_L(rho_paired, v_bra, weights, v_ket=None)[source]¶

Compute the three-electron matrix element L^{pqr(123)}_{stu}.

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 L matrix elements