tequila.quantumchemistry.QuantumChemistryPsi4.compute_mp2_amplitudes¶

QuantumChemistryPsi4.compute_mp2_amplitudes(active_orbitals=None) → tequila.quantumchemistry.qc_base.ClosedShellAmplitudes[source]¶

Compute closed-shell mp2 amplitudes

\[t(a,i,b,j) = 0.25 * g(a,i,b,j)/(e(i) + e(j) -a(i) - b(j) )\]