diff --git a/src/openfermion/hamiltonians/hartree_fock.py b/src/openfermion/hamiltonians/hartree_fock.py index 87840ffe3..b9537c93e 100644 --- a/src/openfermion/hamiltonians/hartree_fock.py +++ b/src/openfermion/hamiltonians/hartree_fock.py @@ -289,6 +289,7 @@ def generate_hamiltonian( two_body_integrals[p, q, r, s] / 2.0 ) + if not (p == q or r == s): # Same spin two_body_coefficients[2 * p, 2 * q, 2 * r, 2 * s] = ( two_body_integrals[p, q, r, s] / 2.0