Hi devs, I have been studying Kwant, specifically, Green’s functions. I am trying to obtain the electron density from the definition of the correlation function. The code follows below, ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- data3 = [] energies2 = []
Es = np.linspace(0, 30, 100) for ie in Es: E = ie * 0.01 G = kwant.greens_function(fsyst, E) # Funcoes de Green retardada indo da lead0 para lead1 G_r = G.submatrix(1,0) # Funcao de Green avancada G_a = conj((G_r).T) # Self-energy da lead 0 SigmaL_r = lead_0.selfenergy(E) # Retardada SigmaL_a = conj((SigmaL_r).T) # Avancada # Self-energy da lead 1 SigmaR_r = lead_1.selfenergy(E) # Retardada SigmaR_a = conj((SigmaR_r).T) # Avancada # Matriz de Alargamento Gamma_L = 1j*(SigmaL_r-SigmaL_a) # referente a lead_0 Gamma_R = 1j*(SigmaR_r-SigmaR_a) # referente a lead_1 # Funcao de distribuicao de Fermi-Dirac em T=0 f_L = np.heaviside(mu_L - E, 1) f_R = np.heaviside(mu_R - E, 1) # Funcao inscattering Sigma_in = (f_L)*(Gamma_L) + (f_R)*(Gamma_R) # Funcao de correlacao G_n = np.dot(np.dot(G_r, Sigma_in), G_a) data3.append(imag(np.trace(G_n))) energies2.append(E) plt.figure() plt.plot(energies2, data3) plt.xlabel("energy [eV]") plt.ylabel("electron density") plt.show() ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- >From this definition, is it possible to obtain this electron density as a >function of the sites position? How can I do that? Best, Gabriel