Related papers: Wave packet dynamics in the optimal superadiabatic…
Low-energy Hamiltonians with a linear crossing in their energy dispersion (dubbed Dirac Hamiltonians) have recently been the subject of intense investigations. The linear dispersion is often the result of an approximation in the energy…
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 exact nuclear time-dependent potential energy surface arises from the exact decomposition of electronic and nuclear motion, recently presented in [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)]. Such…
We show that, during adiabatic evolution, any changes in entanglement can be attributed to a succession of avoided energy level crossings at which eigenvalues swap their eigenvectors. These swaps mediate the generation and redistribution of…
Dynamical transitions, such as a change from bound to unbound motion, often occur as post-adiabatic crossings of a time-dependent separatrix. Whether or not any given orbit will include such a crossing transition typically depends…
Accurate description of nonadiabatic dynamics of molecules at metal surfaces involving electron transfer has been a longstanding challenge for theory. Here, we tackle this problem by first constructing high-dimensional neural network…
Adiabatic quantum computation is based on the adiabatic evolution of quantum systems. We analyse a particular class of qauntum adiabatic evolutions where either the initial or final Hamiltonian is a one-dimensional projector Hamiltonian on…
In many quantum technologies adiabatic processes are used for coherent quantum state operations, offering inherent robustness to errors in the control parameters. The main limitation is the long operation time resulting from the requirement…
We review techniques for simulating fully quantum nonadiabatic dynamics using the frozen-width moving Gaussian basis functions to represent the nuclear wavefunction. A choice of these basis functions is primarily motivated by the idea of…
A nonlinear Landau-Zener model was proposed recently to describe, among a number of applications, the nonadiabatic transition of a Bose-Einstein condensate between Bloch bands. Numerical analysis revealed a striking phenomenon that…
Stimulated Raman Adiabatic Passage, a very efficient technique for manipulating a quantum system based on the adiabatic theorem, is analyzed in the case where the manipulated physical system is interacting with a spin bath. Exploitation of…
Fine control of the dynamics of a quantum system is the key element to perform quantum information processing and coherent manipulations for atomic and molecular systems. In this paper we propose a control protocol using a tangent-pulse…
Quantum pumping, in its different forms, is attracting attention from different fields, from fundamental quantum mechanics, to nanotechnology, to superconductivity. We investigate the crossover of quantum pumping from the adiabatic to the…
We investigate the LiF spectrum up to $7800$ cm$^{-1}$ above the first dissociation limit. The ab initio calculations of the adiabatic potentials and other molecular functions are performed in a wide range of interatomic separations,…
We present a system composed of two flux qubits and a transmission-line resonator. Instead of using the rotating wave approximation (RWA), we analyse the system by the adiabatical approximation methods under two opposite extreme conditions.…
We present an explicit and simple approximation for the superadiabatic excess (over ideal gas) free power functional, admitting the study of the nonequilibrium dynamics of overdamped Brownian many-body systems. The functional depends on the…
An extension of the CCS-method [Chem. Phys. 2004, 304, p. 103-120] for simulating non-adiabatic dynamics with quantum effects of the nuclei is put forward. The time-dependent Schr\"{o}dinger equation for the motion of the nuclei is solved…
Transport of overdamped Brownian particles in a two-dimensional asymmetric tube is investigated in the presence of nonadiabatic periodic driving forces. By using Brownian dynamics simulations we can find that the phenomena in nonadiabatic…
Nonadiabatic effects appear due to avoided crossings or conical intersections that are either intrinsic properties in field-free space or induced by a classical laser field in a molecule. It was demonstrated that avoided crossings in…
This paper investigates the applicability of a recently-proposed nonlinear sparse Bayesian learning (NSBL) algorithm to identify and estimate the complex aerodynamics of limit cycle oscillations. NSBL provides a semi-analytical framework…