The control of nonadiabatic quantum transitions is a requirement for the development of modern quantum technologies. The paradigm to understand these dynamics is the Landau-Zener model. However, for nearly a century, the exact transition probability of this model has been derived using special functions or semiclassical approximations. These conventional methods obscure the underlying physical mechanisms and transition dynamics near the avoided crossing. This cumulative thesis, resulting from the author's research activities at the Intitute of Quantum Physics at Ulm University under the supervision of Prof. Dr. Wolfgang P. Schleich, establishes an analytical framework to study the underlying structure of two-level crossing dynamics. In contrast to the standard techniques, the framework developed in this thesis is based on elementary concepts combined with complex analysis. First, we map the Landau-Zener equations onto an integro-differential equation to decouple them and formulate the Markov approximation which reduces the complicated integrals to the evaluation of Fresnel integrals. This technique reproduces in the asymptotic limit the exact probability amplitude of the Landau-Zener model. Next, to uncover the origin behind the success of the Markov approximation, we analyze the Landau-Zener equations in terms of their underlying nonlinear dynamics. First, we introduce an amplitude-and-phase approach, which explains in a clear way the emergence of the Stueckelberg oscillations through the dynamics of the phase velocity. Second, we map the two-level dynamics onto a nonlinear Riccati differential equation and show that the Markov approximation is equivalent to a linearization of the derived Riccati equation. Moreover, our approach helps to identify the nonlinear term as the reason for the breakdown of the Markov approximation close to the avoided crossing. Finally, we derive exact asymptotic expressions for the transition amplitudes using elementary functions for both negative and positive times. Connecting these two regimes via the analytical continuation of the logarithmic phase reveals that the Landau-Zener transition is mainly governed by a logarithmic phase singularity. Based on this logarithmic phase singularity, we introduce a new time scale to map the system dynamics as a path via a logarithmic phase ansatz in the complex plane. Evaluating this path via the Cauchy’s integral formula yields the exact transition probability which demonstrates that the exact solution emerges from the underlying phase singularity rather than properties of special functions.
The control of nonadiabatic quantum transitions is a requirement for the development of modern quantum technologies. The paradigm to understand these dynamics is the Landau-Zener model. However, for nearly a century, the exact transition probability of this model has been derived using special functions or semiclassical approximations. These conventional methods obscure the underlying physical mechanisms and transition dynamics near the avoided crossing. This cumulative thesis, resulting from the author's research activities at the Intitute of Quantum Physics at Ulm University under the supervision of Prof. Dr. Wolfgang P. Schleich, establishes an analytical framework to study the underlying structure of two-level crossing dynamics. In contrast to the standard techniques, the framework developed in this thesis is based on elementary concepts combined with complex analysis. First, we map the Landau-Zener equations onto an integro-differential equation to decouple them and formulate the Markov approximation which reduces the complicated integrals to the evaluation of Fresnel integrals. This technique reproduces in the asymptotic limit the exact probability amplitude of the Landau-Zener model. Next, to uncover the origin behind the success of the Markov approximation, we analyze the Landau-Zener equations in terms of their underlying nonlinear dynamics. First, we introduce an amplitude-and-phase approach, which explains in a clear way the emergence of the Stueckelberg oscillations through the dynamics of the phase velocity. Second, we map the two-level dynamics onto a nonlinear Riccati differential equation and show that the Markov approximation is equivalent to a linearization of the derived Riccati equation. Moreover, our approach helps to identify the nonlinear term as the reason for the breakdown of the Markov approximation close to the avoided crossing. Finally, we derive exact asymptotic expressions for the transition amplitudes using elementary functions for both negative and positive times. Connecting these two regimes via the analytical continuation of the logarithmic phase reveals that the Landau-Zener transition is mainly governed by a logarithmic phase singularity. Based on this logarithmic phase singularity, we introduce a new time scale to map the system dynamics as a path via a logarithmic phase ansatz in the complex plane. Evaluating this path via the Cauchy’s integral formula yields the exact transition probability which demonstrates that the exact solution emerges from the underlying phase singularity rather than properties of special functions.
We express the dynamics of the two probability amplitudes in the elementary Landau-Zener problem in terms of the solution of the corresponding Riccati differential equation and identify three key features: (i) The solution of the Riccati equation provides the bridge between the two probability amplitudes. (ii) Neglecting the nonlinearity in the Riccati equation is equivalent to the Markov approximation which yields the exact asymptotic expression for one of the probability amplitudes. (iii) The Riccati equation identifies the origin of the failure of the Markov approximation not being able to provide us, in general, with the correct asymptotic expression of the other probability amplitude. Our approach relies on approximate yet analytical solutions of the Riccati equation in different time regimes, highlighting the impact of its nonlinear nature on the time evolution of the system.
We express the dynamics of the two probability amplitudes in the elementary Landau-Zener problem in terms of the solution of the corresponding Riccati differential equation and identify three key features: (i) The solution of the Riccati equation provides the bridge between the two probability amplitudes. (ii) Neglecting the nonlinearity in the Riccati equation is equivalent to the Markov approximation which yields the exact asymptotic expression for one of the probability amplitudes. (iii) The Riccati equation identifies the origin of the failure of the Markov approximation not being able to provide us, in general, with the correct asymptotic expression of the other probability amplitude. Our approach relies on approximate yet analytical solutions of the Riccati equation in different time regimes, highlighting the impact of its nonlinear nature on the time evolution of the system.
Three ingredients of the elementary Landau-Zener problem determine the familiar expression aLZ≡exp[−π/(2ε)] for the asymptotic value of the probability amplitude for remaining in the initial level: (i) A wave whose phase is determined by the product of a contour integral over a simple pole at the origin of the complex plane and the inverse of twice the scaled chirp parameter ε. (ii) An asymptotic limit of the associated path connecting the points ±1 along the real axis and circumventing the pole in the upper half-plane, and (iii) a half-circle in the lower half plane enclosing together with the asymptotic path the pole. The Cauchy theorem immediately provides us with the value $\iiπ$ of the asymptotic contour, and thus with aLZ. Our analysis demonstrates not only that aLZ is the consequence of a logarithmic phase singularity but also explains why the Markov approximation also leads to aLZ.
We present an asymptotic approach towards the standard Landau-Zener problem based on two linearly independent elementary waves of constant amplitude but time-dependent phase. The two contributions to this phase are quadratic and logarithmic in time and result from the linear chirp of the energies and the lowest order correction in the coupling between the two levels in the long-time limit. Indeed, our solutions subjected to initial conditions at a large but finite time in the past, are valid for large negative and large positive times. Due to their asymptotic nature they are not valid in the neighborhood of the moment when the levels cross. However, as the starting point of the dynamics moves further into the past, the time interval of the break-down of our asymptotic solutions shrinks and vanishes in the limit of the infinite past which corresponds to the standard Landau-Zener situation. Our approach explains not only every feature of the exact solution but yields deeper insights into the origin of the effects. In particular, it (i) brings to light the subtleties involved in the asymptotic limit leading to the standard expressions for the Landau-Zener transition amplitudes, (ii) identifies the logarithmic phase as the origin of the exponential transition probability amplitude, and (iii) reveals the structure of the lowest order corrections to the Landau-Zener result when the starting point is not in the infinite past.
They have analytically tested several quantum transitions in molecular dynamics. In addition, they have introduced applications of theoretical formalism in physics to economics. First, they have completed the semiclassical theory of nonadiabatic transitions in the exponential potential model. They treated a two-state quantum system, which commonly appears as a subsystem in many-state problems. They were concerned with one-dimensional Schroedinger equation, although the type or semiclassical approach which they used can be applied to higher-dimension potential surfaces by means of Fourier transform. In particular, they solved the case of repulsive exponentially growing potentials, that is the forward-back scattering. They re-expressed the nonadiabatic transition matrix, which describes the transition between the two states for one-direction passage, in terms of contour integrals in the complex coordinate plane. The integrands are adiabatic momenta derived from the eigenvalues of potential matrix. Such type of concept has the advantage that it can be applied to other models than just the exponential potential model. Based on this, they have obtained an analytical tool for describing one-transition point class of potential curve systems. Examples are Rosen-Zener-Demkov model and Landau-Zener-Stueckelberg model. The formalism, which they contributed to, is useful in describing physical processes such as the charge transfer, and it is suitable for shaping external fields or modulating their frequencies in order to achieve a desired state or a product with the theoretical 100% probability. Second, they have derived the first exact analytical solution for a diabatically avoided crossing model. The physical system is described with one-dimensional coupled potential well and barrier which do not intersect in the whole coordinate range. On the basis of special mathematical functions they derived the complete quantum mechanical solution for the wave functions and the transmission coefficient. They also analyzed this model semiclassically and compared it with the exact results. This comparison yields interesting implications on the validity and accuracy of semiclassical approximation. In particular, they solved the case of dramatically avoided crossing with exponentially steep potential curves, and obtained the probability of one-way passage through the interaction region. The overall behavior corresponds to the probability of tunneling through the single potential barrier. In addition, there are complete reflection resonances at discrete energies, resulting from the trapping of a wave in the potential well. The formalism of diabatically avoided crossing model is useful in laser control of molecular reactions. This is because the potential energy curves in realistic molecular systems can be shifted by the photon energy; the curves are coupled by the field intensity via the dipole moment. That is why the new topology of potential energy curves, which was so far broadly omitted, becomes practically interesting due to the development in lasers techniques. Third, they treated several two-state quantum systems common in molecular physics. The semiclassical conditions for the complete transmission and the complete reflection in one-dimensional scattering were given analytically. They discovered the possibility of these phenomena in energy ranges in which the complete reflection or the complete transmission are not commonly expected to occur. In particular, they have made use of the broadly shared assumption that the transitions between the states are localized phenomena. This enables them to separate the whole coordinate region into distinct subsets and to analyze the physics in each subset separately. Applying this approach, they obtained a fully algebraic problem, which can be treated e.g. by diagrammatic techniques. Let them also mention that the complete transmission or complete reflection conditions simplify the wave function, and hence the mathematical solution. The formalism which they used while deriving the semiclassical conditions for the resonant phenomena mentioned above can be further generalized. This will probably yield a whole spectrum of tools in the laser control of molecular processes. Fourth, they developed a powerful technique for solving integral equations with singular kernel. One of the physical formulations of scattering is the time-independent approach based on the Lippmann-Schwinger equation for the Green operator. They have developed a detailed technique how to treat the singularity in this equation. In particular, any scattering problem can be divided into two parts. The first one is the geometry of the system and the static interaction of its components. The second one is more dynamical: the singular equation for the Green operator including the variable energy of the scattering. They fix the most costly calculations in the static part. Then they solve the singularity analytically and thus obtain the cross section as a function of energy. The so far common approach is quite opposite: to fix the singularity first and then to recalculate heavily all the static part for any new value of energy. Obviously, their approach saves a considerable amount of computational time; therefore it is a good standpoint for treating large systems. The formalism above was proved to be extremely efficient taking the example of dissociative recombination H2+ + e- → H + H* because this is a diatomic system, quantum chemical data are easily available in the literature and they could demonstrate the superiority of their approach to the other approaches. Fifth, they suggested applications of basic physical concepts to economics. They introduced aggregate quantities in financial markets and interpreted these quantities as potential energy surfaces. They also formalized interactions between cyclic processes in terms of state to state transitions. Summarizing, they treated the exponential potential model of nonadiabatic transitions, introduced a new exactly solvable model of diabatically avoided crossing, discussed the semiclassical conditions for complete transmission and complete reflection from the viewpoint of laser control, contributed to scattering calculations, and introduced some interdisciplinary applications.
The approach by Ettore Majorana for non-adiabatic transitions between two quasi-crossing levels is revisited and significantly extended. We rederive the transition probability, known as the Landau-Zener-Stückelberg-Majorana formula, and introduce Majorana's approach to modern readers. This result, typically referred as the Landau-Zener formula, was published by Majorana before Landau, Zener and Stückelberg. Moreover, we go well beyond previous results and we now obtain the full wave function, including its phase, which is important nowadays for quantum control and quantum information. The asymptotic wave function correctly describes the dynamics away from the avoided-level crossing, while it has limited accuracy in that region.