Beispiel #1
0
def test_Ehrenfest2(sys):
    """
    Test the second Ehenfest theorem for the specified quantum system
    """
    times = sys.dt * np.arange(len(sys.P_average))

    dP_dt = np.gradient(sys.P_average, sys.dt)

    print("%.2e" % np.linalg.norm(dP_dt - sys.P_average_RHS))

    plt.plot(times, dP_dt, '-r', label='$d\\langle\\hat{p}\\rangle / dt$')
    plt.plot(times,
             sys.P_average_RHS,
             '--b',
             label='$\\langle -U\'(\\hat{x})\\rangle$')
    plt.legend()
    plt.ylabel('force')
    plt.xlabel('time $t$ (a.u.)')
    def test_Ehrenfest1(sys):
        """
        Test the first Ehenfest theorem for the specified quantum system
        """
        times = sys.dt * np.arange(len(sys.x_average))

        dx_dt = np.gradient(sys.x_average, sys.dt)

        print("{:.2e}".format(np.linalg.norm(dx_dt - sys.x_average_rhs)))

        plt.plot(times, dx_dt, '-r', label='$d\\langle\\hat{x}\\rangle / dt$')
        plt.plot(times,
                 sys.x_average_rhs,
                 '--b',
                 label='$\\langle\\hat{p}\\rangle$')
        plt.legend()
        plt.ylabel('momentum')
        plt.xlabel('time $t$ (a.u.)')