print state print print 'states:' for energyGroup, energy in zip(structure.getStatesEnergySortedAlgebraically(), structure.getEnergies()): print 'E = ', energy print for state in energyGroup: print state print print sz_tot = .5 * (c['up', 0].H.dot(c['up', 0]) - c['dn', 0].H.dot(c['dn', 0])) + .5 * (c['up', 1].H.dot(c['up', 1]) - c['dn', 1].H.dot(c['dn', 1])) chi_zz_tot = sz_tot.dot(sz_tot) print 'corresponding S2_tot qnrs:' energies, degeneracies = structure.getSpectrum() for energyGroup, energy in zip(structure.getSuperpositionStatesEnergySorted(), sort(energies)): for state in energyGroup: print str(energy)+' -> '+str(3*state.getQuantumNumber(chi_zz_tot)) print n_tot = c['up', 0].H.dot(c['up', 0]) + c['dn', 0].H.dot(c['dn', 0]) + c['up', 1].H.dot(c['up', 1]) + c['dn', 1].H.dot(c['dn', 1]) print 'corresponding n_tot qnrs:' energies, degeneracies = structure.getSpectrum() for energyGroup, energy in zip(structure.getSuperpositionStatesEnergySorted(), sort(energies)): for state in energyGroup: print str(energy)+' -> '+str(state.getQuantumNumber(n_tot)) fig = plt.figure() ax = fig.add_subplot(1,1,1) es = list() for e, d in zip(*structure.getSpectrum()):