def runGrandcanonicalHubbardDimer(self):
h = Hubbard([[0, -1], [-1, 0]], 1)
ensemble = GrandcanonicalEnsemble(h, 1, .5)
ensemble.calcOccupation()
self.assertEqual(ensemble.getTotalOccupation(), 2)
for state in h.orderedSingleParticleStates:
self.assertAlmostEqual(ensemble.occupation.getExpectationValue(state), .5)
def runG1Calculation(self):
h = Hubbard([[0, -1], [-1, 0]], 1)
ensemble = GrandcanonicalEnsemble(h, 1, .5)
statePair = (('up', 1),('up', 1))
ensemble.calcG1([statePair])
ensemble.g1.setMesh(100, -2, 2)
ensemble.g1.setRetarded(numpy.pi)
a = ensemble.g1.getSpectralFunction(statePair)
ensemble.g1.setMatsubaraMesh(20, 1)
ensemble.g1.setMatsubara()
giw = ensemble.g1.getMatsubara(statePair)
import numpy as np from EasyED.ensembles import GrandcanonicalEnsemble from EasyED.hamiltonians import Hubbard, Hubbard2 from EasyED.util import report from reduceddensitymatrix import ReducedDensityMatrix as RDM beta = 10 t = -1 tp = 0 u = 3 mu = u*.5 hop = [[0,t,t,tp],[t,0,tp,t],[t,tp,0,t],[tp,t,t,0]] hamiltonian = Hubbard2(hop, u) plaq = GrandcanonicalEnsemble(hamiltonian, beta, mu) plaq.calcEigensystem() e0 = plaq.hamiltonian.getGroundStateEnergy() energies = plaq.hamiltonian.eigenEnergies eigenstates = plaq.hamiltonian.eigenStates.toarray() rho_dim = RDM(beta, eigenstates, energies, 4, 4, [], [0]) rho_dim.calculate() print rho_dim.get_entanglement_spectrum() print rho_dim.get_entanglement_entropy() hamiltonian = Hubbard(hop, u) print hamiltonian.singleParticleBasis plaq = GrandcanonicalEnsemble(hamiltonian, beta, mu) plaq.calcEigensystem() e0 = plaq.hamiltonian.getGroundStateEnergy() energies = plaq.hamiltonian.eigenEnergies
def runMuByFillingEstimation(self):
h = Hubbard([[0, -1], [-1, 0]], 1)
ensemble = GrandcanonicalEnsemble(h, 1, 0)
ensemble.setMuByFilling(2, .4, .6)
self.assertEqual(ensemble.getTotalOccupation(), 2)
self.assertEqual(ensemble.mu, .5)