Related papers: Landau-Zener type surface hopping algorithms
A general theoretical framework is derived for the recently developed multi-state trajectory (MST) approach from the time dependent Schr\"odinger equation, resulting in equations of motion for coupled nuclear-electronic dynamics equivalent…
In this work, we describe various improved implementations of the mapping approach to surface hopping (MASH) for simulating nonadiabatic dynamics. These include time-reversible and piecewise-continuous integrators, which is only formally…
An asymptotic approach for a Schroedinger type equation with a non selfadjoint slowly varying Hamiltonian of a special type is developed. The Hamiltonian is assumed to be the result of a small perturbation of an operator with a twofold…
We discuss common properties and reasons for integrability in the class of multistate Landau-Zener (MLZ) models with all diabatic levels crossing at one point. Exploring the Stokes phenomenon, we show that each previously solved model has a…
Incorporating nuclear quantum effects into nonadiabatic dynamics remains a significant challenge. Herein we introduce new nonadiabatic dynamics approaches based on the recently developed constrained nuclear-electronic orbital (CNEO) theory.…
A complete adiabatic transport of Bose-Einstein condensate in a double-well trap is investigated within the Landau-Zener (LZ) and Gaussian Landau-Zener (GLZ) schemes for the case of a small nonlinearity, when the atomic interaction is…
This study introduces the FSSH-2 scheme, a redefined and numerically stable adiabatic Fewest Switches Surface Hopping (FSSH) method for mixed quantum-classical dynamics. It reformulates the standard FSSH hopping probability without…
We present experimental results on the preparation of a desired quantum state in a two-level system with the maximum possible fidelity using driving protocols ranging from generalizations of the linear Landau-Zener protocol to…
The localization and scattering properties of potential wells or barriers uniformly moving on a lattice are strongly dependent on the drift velocity owing to violation of the Galilean invariance of the discrete Schr\"odinger equation. Here…
We present a coherent counter-diabatic quantum protocol to prepare ground states in the lattice gauge mapping of all-to-all Ising models (LHZ) with considerably enhanced final ground state fidelity compared to a quantum annealing protocol.…
We systematically characterize the dynamical evolution of time-parity (PT )-symmetric two-level systems with spin-dependent dissipations. If the control parameters of the gap are linearly tuned with time, the dynamical evolution can be…
It is well known that fewest-switches surface hopping (FSSH) fails to correctly capture the quadratic scaling of rate constants with diabatic coupling in the weak-coupling limit, as expected from Fermi's golden rule and Marcus theory. To…
Using the Multi-Reference Configuration Interaction method, the adiabatic potential energy surfaces of Li3 are computed. The two lowest electronic states are bound and exhibit a conical intersection. By fitting the calculated potential…
The time evolution is studied for the Landau problem with a general time dependent electric field ${\bf E}(t)$ in a plane perpendicular to the magnetic field. A general and explicit factorization of the time evolution operator is derived…
We discuss dynamics of approximate adiabatic invariants in several nonlinear models being related to physics of Bose-Einstein condensates (BEC). We show that nonadiabatic dynamics in Feshbach resonance passage, nonlinear Landau-Zener (NLZ)…
Marcus--Hush theory explains electron transfer in terms of reorganization energies, driving forces, electronic couplings, and reduced free-energy or energy-gap descriptions. These descriptions do not by themselves determine when the…
Effects of a periodic driving field on Landau-Zener processes are studied using a nonlinear two-mode model that describes the mean-field dynamics of a many-body system. A variety of different dynamical phenomena in different parameter…
Quantum adiabatic dynamics is the crucial element of adiabatic quantum computing and quantum annealing. Shortcuts to adiabaticity enable acceleration of the computational time by suppressing unwanted non-adiabatic processes with designed…
A confined system of non-interacting electrons, subject to the combined effect of a time-dependent potential and different external chemical-potentials, is considered. The current flowing through such a system is obtained for arbitrary…
In a quantum system with a smoothly and slowly varying Hamiltonian, which approaches a constant operator at times $t\to \pm \infty$, the transition probabilities between adiabatic states are exponentially small. They are characterized by an…