Related papers: Landau-Zener type surface hopping algorithms
With the aim of describing real-time electron dynamics, we introduce an adiabatic approximation for the equation of motion of the one-body reduced-density matrix (one-matrix). The eigenvalues of the one-matrix, which represent the…
We discuss solvable multistate Landau-Zener (MLZ) models whose Hamiltonians have commuting partner operators with $\sim 1/\tau$-time-dependent parameters. Many already known solvable MLZ models belong precisely to this class. We derive the…
We generalize the Brundobler-Elser hypothesis in the multistate Landau-Zener problem to the case when instead of a state with the highest slope of the diabatic energy level there is a band of states with an arbitrary number of parallel…
The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic…
Non-adiabatic chemical reactions involving continuous circularly polarized light (cw CPL) have not attracted as much attention as dynamics in unpolarized/linearly polarized light. However, including circularly (in contrast to linearly)…
We study a nonlinear generalization of the Landau-Zener resonance-crossing problem relevant to coherent photo- and magneto-association of ultracold atoms. Due to the structure of the corresponding classical phase space, the adiabatic…
The diagonal Born-Oppenheimer correction (DBOC) stems from the diagonal second derivative coupling term in the adiabatic representation, and it can have an arbitrary large magnitude when a gap between neighbouring Born-Oppenheimer (BO)…
An asymptotic approach for a Schroedinger type equation with non selfadjoint Hamiltonian of a special type in the case of two close degeneracy (turning) points is developed. Both real and complex degeneracy points are treated by a method of…
We investigate two well-known approaches for extending the fewest switches surface hopping (FSSH) algorithm to periodic time-dependent couplings. The first formalism acts as if the instantaneous adiabatic electronic states were standard…
We investigate the quantum effects, in particular the Landau-level quantization, in the scattering of a particle the nonadiabatic classical dynamics of which is governed by an adiabatic invariant. As a relevant example, we study the…
Two problems incorporating a set of horizontal linear potentials crossed by a sloped linear potential are analytically solved and compared with numerical results: (a) the case where boundary conditions are specified at the ends of a finite…
We discuss a one-dimensional version of the Landau-Pekar equations, which are a system of coupled differential equations with two different time scales. We derive an approximation on the slow time scale in the spirit of a non-linear…
In [Phys. Rev. Lett. 95, 080502 (2005)], Zheng proposed a scheme for implementing a conditional phase shift via adiabatic passages. The author claims that the gate is "neither of dynamical nor geometric origin" on the grounds that the…
We study a one dimensional nonequilibrium lattice model with competing features of particle attraction and non-local hops. The system is similar to a zero range process (ZRP) with attractive particles but the particles can make both local…
Nonadiabatic dynamics methods are an essential tool for investigating photochemical processes. In the context of employing first principles electronic structure techniques, such simulations can be carried out in a practical manner using…
The viability of adiabatic quantum computation depends on the slow evolution of the Hamiltonian. The adiabatic switching theorem provides an asymptotic series for error estimates in $1/T$, based on the lowest non-zero derivative of the…
We study nuclear propagation through avoided crossings of electron energy levels. We construct a surface hopping semigroup, which gives an Egorov-type description of the dynamics. The underlying time-dependent Schroedinger equation has a…
Akin to the traditional quasi-classical trajectory method for investigating the dynamics on a single adiabatic potential energy surface for an elementary chemical reaction, we carry out the dynamics on a 2-state ab initio potential energy…
Since the pioneering works by Landau, Zener, St\"uckelberg, and Majorana (LZSM), it has been known that driving a quantum two-level system results in tunneling between its states. Even though the interference between these transitions is…
We control the current of a single particle quantum ratchet by designing ramping schemes for experimentally accessible control parameters. We harvest on Landau-Zener transitions between Floquet states. Adiabatic and diabatic ramping allow…