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Physical Review A

Numerical verification of the exact WKB formula for the generalized Landau-Zener-Stueckelberg problem

Naoaki Shimada, Akira Shudo

Published Aug 17, 2020• 6 citations
Publisher

Abstract

The WKB analysis for higher order differential equations had not been developed until recent progress of the so-called exact WKB method, so it was difficult to find WKB solutions for multistate nonadiabatic models in general, whereas enormous efforts were made especially for the study of generalized Landau-Zener models. Under such circumstances Aoki-Kawai-Takei provided a closed expression for the $S$ matrix of a time-dependent multistate nonadiabatic system, in which diabatic potential curves are given as polynomial functions of time and they all intersect with each other. Their result is completely explicit, and the model covers much wider classes of systems than multistate nonadiabatic models studied so far. Here we numerically show how their exact WKB formula works as long as crossing points of diabatic potential curves are well separated. The model studied includes the cases where diabatic potential functions are nonlinear, not like generalized Landau-Zener models. We also discuss the situations where virtual turning points and new Stokes curves, new components in the Stokes geometry appearing only for higher order differential equations, come into play. In particular, we examine how the presence of new Stokes curves affects final transition probabilities using a couple of concrete examples.

DOI
10.1103/physreva.102.022213

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•Jan 1, 2026•0 citations
The WKB analysis for higher order differential equations had not been developed until recent progress of the so-called exact WKB method, so it was difficult to find WKB solutions for multistate nonadiabatic models in general, whereas enormous efforts were made especially for the study of generalized Landau-Zener models. Under such circumstances Aoki-Kawai-Takei provided a closed expression for the SSS matrix of a time-dependent multistate nonadiabatic system, in which diabatic potential curves are given as polynomial functions of time and they all intersect with each other. Their result is completely explicit, and the model covers much wider classes of systems than multistate nonadiabatic models studied so far. Here we numerically show how their exact WKB formula works as long as crossing points of diabatic potential curves are well separated. The model studied includes the cases where diabatic potential functions are nonlinear, not like generalized Landau-Zener models. We also discuss the situations where virtual turning points and new Stokes curves, new components in the Stokes geometry appearing only for higher order differential equations, come into play. In particular, we examine how the presence of new Stokes curves affects final transition probabilities using a couple of concrete examples.
The compact analytical complete solutions recently obtained for the two-state Landau-Zener-Stueckelberg problems are reviewed and explained. The theory covers both Landau-Zener (LZ) type in which the two diabatic potential curves cross with the same sign of slopes and the nonadiabatic tunneling (NT) type in which the potentials cross with different signs of slopes. The theory is applicable virtually in the whole range of energy and coupling strength and is convenient for practical use. The new theory for time-dependent nonadiabatic transition can be formulated from the time-independent theory of the LZ-type. The utilizability of the theory to various multi-channel problems and also to multi-dimensional problems is demonstrated and explained. The intriguing phenomenon of complete reflection which appears in the NT-case is explicitly utilized to propose a new type of molecular switching and to control molecular processes such as molecular photodissociation. Also proposed is a new way of controlling molecular processes by using time-dependent external fields. Finally, a trial to formulate a unified analytical theory to cover both Landau-Zener-Stueckelberg and Rosen-Zener-Demkov types of nonadiabatic transitions is briefly touched upon.
The nonstationary Schr\"odinger equation is considered in a finite basis of states. The model Hamiltonian matrix corresponds to a single diabatic potential curve with a Coulombic $\ensuremath{\sim}1/t$ time dependence. An arbitrary number of other diabatic potential curves are flat, i.e., time independent and have arbitrary energies. Related states are coupled by constant interactions with the Coulomb state. The resulting nonstationary Schr\"odinger equation is solved by the method of contour integral. Probabilities of transitions to any other state are obtained as $\stackrel{\ensuremath{\rightarrow}}{t}\ensuremath{\infty}$ in a simple analytical form for the case when the Coulomb state is populated initially (at instant of time $\stackrel{\ensuremath{\rightarrow}}{t}+0).$ The formulas apply both to the cases when a horizontal diabatic potential curve is crossed by the Coulomb one and to a noncrossing situation. In the limit of weak coupling, the transition probabilities are interpreted in terms of a sequence of pairwise Landau-Zener-type transitions. Mapping of the Coulomb model onto an exactly solvable exponential multistate model is established. For the special two-state case, the well-known Nikitin model is recovered.
The non-stationary Schrödinger equation in a finite basis of states is considered for the Hamiltonian matrix linearly depending on time. Exact analytical solutions of asymptotic transition probabilities are obtained for a bow-tie model, in which an arbitrary number of linear time-dependent diabatic potential curves cross at one point and only a particular horizontal curve has interactions with the others. Based on the contour integral method used, some mathematical aspects such as a possible generalization of the Whittaker functions are also briefly discussed.
Based on the achievements of the previous three papers of this series, the best working formulas for scattering matrix are obtained for both the Landau–Zener (LZ) and the nonadiabatic tunneling (NT) case: two formulas valid at b2≥0 and b2≤0 in the LZ case, and three formulas valid atb2≤−1, −1≤b2≤1 and b2≥1 in the NT case, where b2 represents the effective energy. Simple and compact formulas which work far better than the LZ formula are proposed for nonadiabatic transition probability by one passage of crossing point for both the LZ and NT cases. Furthermore, compact expressions are derived, for the first time, for the nonadiabatic tunneling probability at b2≤1, i.e., at energies lower than the bottom of the upper adiabatic potential. All the formulas proposed here can be usefully utilized at any coupling strength, namely the validity range has been very much expanded compared to the previous formulas by employing certain empirical corrections. Besides, these formulas have convenience to enable an extension to general curved potentials.
In the multistate Landau–Zener model all diabatic potential curves are linear functions of time. We consider the case where there is a band of parallel potential curves with slope larger (smaller) than any of the other slopes in the system. In such a situation transitions from a lower (higher) lying state within the band to any upper (lower) state are counterintuitive, since in the simple semiclassical picture they are possible only via propagation backwards in time. We rigorously prove that the probabilities of such transitions are exactly zero. In other words the energy of states within the band can only decrease (increase). The theoretical method employed is based on analysis of perturbation theory series to arbitrary order.
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.