diff --git a/moha/hamiltonians.py b/moha/hamiltonians.py index 6f1a7c0..a91ef91 100644 --- a/moha/hamiltonians.py +++ b/moha/hamiltonians.py @@ -173,8 +173,8 @@ def generate_one_body_integral(self, basis: str, dense: bool): for q in range(self.n_sites): if p != q: mult = 0.5 * self.gamma[p, q] - one_body_term[p, p] -= mult * self.charges[p] - one_body_term[q, q] -= mult * self.charges[q] + one_body_term[p, p] -= mult * self.charges[q] + one_body_term[q, q] -= mult * self.charges[p] if basis == "spatial basis": self.one_body = one_body_term.tocsr()