Related papers: On transition rates in surface hopping
The TASEP is a paradigmatic model from non-equilibrium statistical physics, which describes particles hopping along a lattice of discrete sites. The TASEP is applicable to a broad range of different transport systems, but does not consider…
Fluids confined to quasi-one-dimensional channels exhibit a dynamic crossover from single file diffusion to normal diffusion as the channel becomes wide enough for particles to hop past each other. In the crossover regime, where hopping…
This paper presents analytic formulas for various transition times in the Landau-Zener model. Considerable differences are found between the transition times in the diabatic and adiabatic bases, and between the jump time (the time for which…
Using the principles of the ETH - Approach to Quantum Mechanics we study fluorescence and the phenomenon of ``quantum jumps'' in idealized models of atoms coupled to the quantized electromagnetic field. In a limiting regime where the…
Characterization of equilibrium topological quantum phases by non-equilibrium quench dynamics provides a novel and efficient scheme in detecting topological invariants defined in equilibrium. Nevertheless, most of the previous studies have…
We study the Landau-Zener Problem for a decaying two-level-system described by a non-hermitean Hamiltonian, depending analytically on time. Use of a super-adiabatic basis allows to calculate the non-adiabatic transition probability P in the…
We study the quenched invariance principle for random conductance models with long range jumps on $\Z^d$, where the transition probability from $x$ to $y$ is, on average, comparable to $|x-y|^{-(d+\alpha)}$ with $\alpha\in (0,2)$ but is…
The violation of detailed balance poses a serious problem for the majority of current quasiclassical methods for simulating nonadiabatic dynamics. In order to analyze the severity of the problem, we predict the long-time limits of the…
In this work, surface diffusion is studied with a different perspective by showing how the corresponding open dynamics is transformed when passing, in a continuous and smooth way, from a pure quantum regime to a full classical regime; the…
Coarse-grained (CG) conformational surface hopping (SH) adapts the concept of multisurface dynamics, initially developed to describe electronic transitions in chemical reactions, to accurately describe classical molecular dynamics at a…
We present a highly efficient method to directly simulate the photodissociation followed by Coulomb explosion of methyl iodide. In order to achieve statistical reliability, more than 40,000 trajectories are calculated on accurate potential…
Non-adiabatic dynamics simulations have become a standard approach to explore photochemical reactions. Such simulations require underlying potential energy surfaces and couplings between them, calculated at a chosen level of theory, yet…
An analysis of the network defined by the potential energy minima of multi-atomic systems and their connectivity via reaction pathways that go through transition states allows to understand important characteristics like thermodynamic,…
The Davydov D1 ansatz, which assigns an individual bosonic trajectory to each spin state, is an efficient, yet extremely accurate trial state for time-dependent variation of the sub-Ohmic spin-boson model [J. Chem. Phys. 138, 084111…
We study the localization and topological transitions of the generalized non-Hermitian SSH models, where the non-Hermiticities are introduced by the complex quasiperiodic hopping and the nonreciprocal hopping. We elucidate the universality…
Statistical mechanics of the discrete nonlinear Schr\"odinger equation is studied by means of analytical and numerical techniques. The lower bound of the Hamiltonian permits the construction of standard Gibbsian equilibrium measures for…
The nature of the transition from the quantum tunneling regime at low temperatures to the thermal hopping regime at high temperatures is investigated analytically in scalar field theory. An analytical bounce solution is presented, which…
In an adiabatic rapid passage experiment, the Bloch vector of a two-level system (qubit) is inverted by slowly inverting an external field to which it is coupled, and along which it is initially aligned. In twisted rapid passage, the…
The mechanism behind the high throughput rate in K$^{+}$ channels is still an open problem. Recent simulations have shown that the passage of potassium through the K$^{+}$ channel core, the so-called selectivity filter (SF), is water-free…
The development of non-Hermitian topological band theory has led to observations of novel topological phenomena in effectively classical, driven and dissipative systems. However, for open quantum many-body systems, the absence of a ground…