Beispiel #1
0
    def runHubbardAtom(self):
        h = Hubbard([[-0.5]], 1)
        h.solve()
        self.assertEqual(-0.5, h.getGroundStateEnergy())
        self.assertEqual(h.getEnergies(), [0, 0.5])
        self.assertTrue((h.eigenEnergies == numpy.array([0.5, 0, 0, 0.5])).all())
        for state in h.getGroundStatesAlgebraically():
            self.assertTrue(state in ["+1.0 c^('up', 0)\n", "+1.0 c^('dn', 0)\n"])
        for states_e, e in zip(h.getStatesEnergySortedAlgebraically(), h.getEnergies()):
            for state in states_e:
                if e == 0:
                    self.assertTrue(state in ["+1.0 c^('up', 0)\n", "+1.0 c^('dn', 0)\n"])
                elif e == 0.5:
                    self.assertTrue(state in ["+1.0 \n", "+1.0 c^('up', 0) c^('dn', 0)\n"])
                else:
                    self.assertTrue(False)

        c = AnnihilationOperator(h.getSingleParticleBasis())
        n_tot_hat = numpy.sum([c[s, 0].H.dot(c[s, 0]) for s in ["up", "dn"]], axis=0)
        self.assertEqual(h.getGroundStates()[0].getQuantumNumber(n_tot_hat), 1)
        self.assertEqual(h.getGroundStates()[1].getQuantumNumber(n_tot_hat), 1)