Related papers: Superadiabatic transition histories in quantum mol…
Nonadiabatic coupling between electrons and molecular motion at metal surfaces leads to energy dissipation and dynamical steering effects during chemical surface dynamics. We present a theoretical approach to the scattering of molecules…
The crossover between two customary limits of phonon-assisted tunneling, the adiabatic and antiadiabatic regimes, is studied systematically in the framework of a minimal model for molecular devices: a resonant level coupled by displacement…
Most microscopic descriptions of structural dynamics assume the Born-Oppenheimer separation, where electrons adjust adiabatically to ionic motion. When this separation breaks down, electronic and lattice degrees of freedom can evolve on…
We argue the feasibility to study the phase structure of a quantum physical system on quantum devices via adiabatic preparation of states. We introduce a novel method and successfully test it in application to the Schwinger model in the…
We present a general method for studying coupled qubits driven by adiabatically changing external parameters. Extended calculations are provided for a two-bit Hamiltonian whose eigenstates can be used as logical states for a quantum CNOT…
In this paper, we address the motion of charged particles acted upon by a sinusoidal electrostatic wave, whose amplitude and phase velocity vary slowly enough in time for neo-adiabatic theory to apply. Moreover, we restrict to the situation…
Quantum systems subject to time periodic fields of finite amplitude, lambda, have conventionally been handled either by low order perturbation theory, for lambda not too large, or by exact diagonalization within a finite basis of N states.…
The anomalous dynamical evolution and the crossing of nonadiabatic energy levels are investigated for exactly solvable time-dependent quantum systems through a reverse-engineering scheme. By exploiting a typical driven model, we elucidate…
In the standard formulation of quantum mechanics, one starts by proposing a potential function that models the physical system. The potential is then inserted into the Schr\"odinger equation, which is solved for the wave function, bound…
The dynamics of a closed quantum system is often studied with the direct evolution of the Schrodinger equation. In this paper, we propose that the gauge choice (i.e. degrees of freedom irrelevant to physical observables) of the Schrodinger…
For systems in an externally controllable time-dependent potential, the optimal protocol minimizes the mean work spent in a finite-time transition between given initial and final values of a control parameter. For an initially thermalized…
We present a novel quantum-classical approach to non-adiabatic dynamics, deduced from the coupled electronic and nuclear equations in the framework of the exact factorization of the electron-nuclear wave function. The method is based on the…
We develop and implement an exact conical intersection nonadiabatic wave packet dynamics method that combines the local diabatic representation, Strang splitting for the total molecular propagator, and discrete variable representation with…
A generalized formalism of the so-called non-adiabatic quantum molecular dynamics is presented, which applies for atomic many-body systems in external laser fields. The theory treats the nuclear dynamics and electronic transitions…
Quantum thermodynamics aims at investigating both the emergence and the limits of the laws of thermodynamics from a quantum mechanical microscopic approach. In this scenario, thermodynamic processes with no heat exchange, namely, adiabatic…
We review recent results concerning the exponential behaviour of transition probabilities across a gap in the adiabatic limit of the time-dependent Schr\"odinger equation. They range from an exponential estimate in quite general situations…
We analyze the matter wave transmission above a step potential within the framework of the cubic-nonlinear Schr\"odinger equation. We present a comprehensive analysis of the corresponding stationary problem based on an exact second-order…
For multi-level time-dependent quantum systems one can construct superadiabatic representations in which the coupling between separated levels is exponentially small in the adiabatic limit. Based on results from [BeTe1] for special…
A novel method of coherent manipulation of the electron tunneling in quantum-dots is proposed, which utilizes the quantum interference in nonadiabatic double-crossing of the discrete energy levels. In this method, we need only a smoothly…
The (stationary) Schr\"{o}dinger equation for atomistic systems is solved using the adiabatic potential energy curves (PECs) and the associated adiabatic approximation. Despite being very simplistic, this approach is very powerful and used…