Related papers: Classical nuclear motion coupled to electronic non…
We introduce an improved semiclassical dynamics approach to quantum vibrational spectroscopy. In this method, a harmonic-based phase space sampling is preliminarily driven toward non-harmonic quantization by slowly switching on the actual…
In this article, we propose a new numerical model for computation of the transport of electrons in a graphene device. The underlying quantum model for graphene is a massless Dirac equation, whose eigenvalues display a conical singularity…
We show that a counter-intuitive pulse sequence leads to adiabatic passage between the vibrational levels of three harmonic potentials through parallel dark states in adiabatic approximation. However, the adiabatic assumptions break down…
We derive an exact quantum propagator for nonadiabatic dynamics in multi-state systems using the mapping variable representation, where classical-like Cartesian variables are used to represent both continuous nuclear degrees of freedom and…
Many areas of physics rely upon adiabatic state transfer protocols, allowing a quantum state to be moved between different physical systems for storage and retrieval or state manipulation. However, these state-transfer protocols suffer from…
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…
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…
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…
We propose a way to accelerate adiabatic dynamics of wave functions in quantum mechanics to obtain a final adiabatic state except for the spatially uniform phase in any desired short time. We develop the previous theory of fast-forward…
We establish the connection between the standard ADM 3+1 treatment of matter with its characteristic equivalent, in the context of spherical symmetry. The flux-conservative rendition of the fluid equations are obtained. Considering…
Energy transfer during molecular collisions on metal surfaces plays a pivotal role in a host of critical interfacial processes. Despite significant efforts, our understanding of relevant energy transfer mechanisms, even in an…
We theoretically study nonadiabatic corrections for charge pumping in a noninteracting electron model of a single-level quantum dot. We derive a formula for the velocity limit of parameter driving to realize adiabatic pumping and illustrate…
We present a mixed quantum-classical approach to strong-field ionization - a semiclassical two-step model with quantum input. In this model the initial conditions for classical trajectories that simulate electron wave packet after…
We propose a method to dynamically generate and control the flow of spin-entangled electrons, each belonging to a spin-singlet, by means of adiabatic quantum pumping. The pumping cycle functions by periodic time variation of localized…
We present an alternative, univocal characterization of the continuous transition from atomic to molecular shape in the Coulomb system constituted by two identical particles and a third particle with the opposite charge, as the mass ratio…
In quantum information processing, quantum cavities play an important role by providing the mechanisms to transfer information between atom qubits and photon qubits, or to couple single atoms with the optical modes of the cavity field. We…
An elementary excitation in an aggregate of coupled particles generates a collective excited state. We show that the dynamics of these excitations can be controlled by applying a transient external potential which modifies the phase of the…
We propose a method to compute free-energy differences from nonadiabatic alchemical transformations using flow-based generative models. The method, nonadiabatic force matching, hinges on estimating the dissipation along an alchemical…
We present a new approach to study the thermodynamic properties of $d$-dimensional classical systems by reducing the problem to the computation of ground state properties of a $d$-dimensional quantum model. This classical-to-quantum mapping…
We introduce methods for clock synchronization that make use of the adiabatic exchange of nondegenerate two-level quantum systems: ticking qubits. Schemes involving the exchange of N independent qubits with frequency $\omega$ give a…