Related papers: Nonadiabatic Quantum Dynamics with Frozen-Width Ga…
Electron transfer is an important and fundamental process in chemistry, biology and physics, and has received significant attention in recent years. Perhaps one of the most intriguing questions concerns with the realization of the…
Theoretical approaches to nonequilibrium many-body dynamics generally rest upon an adiabatic assumption, whereby the true dynamics is represented as a sequence of equilibrium states. Going beyond this simple approximation is a notoriously…
We develop a density matrix formalism to describe coupled electron-nuclear dynamics. To this end we introduce an effective Hamiltonian formalism that describes electronic transitions and small (quantum) nuclear fluctuations along a…
The Born-Oppenheimer approximation leads to the counterintuitive result of a vanishing electronic flux density upon vibrational dynamics in the electronic ground state. To circumvent this long known issue, we propose using pairwise…
The nonequilibrium thermodynamics of interacting quantum many-body systems is investigated within the framework of thermal time-dependent density functional theory using a generalized linear-response formulation for the full quantum work…
Nonadiabatic transition dynamics lies at the core of many electron/hole transfer, photoactivated, and vacuum field-coupled processes. About a century after Ehrenfest proposed "Phasenraum" and the Ehrenfest theorem, we report a conceptually…
Gaussian states have played on important role in the physics of continuous-variable quantum systems. They are appealing for the experimental ease with which they can be produced, and for their compact and elegant mathematical description.…
A typical goal of a quantum simulation is to find the energy levels and eigenstates of a given Hamiltonian. This can be realized by adiabatically varying the system control parameters to steer an initial eigenstate into the eigenstate of…
This paper is focused on the transient dynamics of an adiabatic nano-electromechanical system (NEMS), consisting of a nano-mechanical oscillator coupled to a quantum dot. By numerically solving the nonlinear stochastic differential equation…
We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order approximation to the exact coupled dynamics of electrons and…
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…
Nonadiabatic geometric quantum computation (NGQC) has emerged as an excellent proposal for achieving fast and robust quantum control against control errors. However, previous NGQC protocols could not be strongly resilient against the noise…
Due to the exponential increase of the numerical effort with the number of degrees of freedom, moving basis functions have a long history in quantum dynamics. In addition, spawning of new basis functions is routinely applied. Here we…
The geometric phase stands as a foundational concept in quantum physics, revealing deep connections between geometric structures and quantum dynamical evolution. Unlike dynamical phases, geometric phases exhibit intrinsic resilience to…
The evolution of a driven quantum system is said to be adiabatic whenever the state of the system stays close to an instantaneous eigenstate of its time-dependent Hamiltonian. The celebrated quantum adiabatic theorem ensures that such pure…
Variational wave functions are very useful for describing the panoply of ground states found in interacting many-electron systems. Some particular trial states are "adiabatically" linked to a reference state, from which they borrow the…
The system undergoes adiabatic evolution when its population in the instantaneous eigenbasis of its time-dependent Hamiltonian changes only negligibly. Realization of such dynamics requires slow-enough changes of the parameters of the…
We generalize the quasi-diabatic (QD) propagation scheme to simulate the non-adiabatic polariton dynamics in molecule-cavity hybrid systems. The adiabatic-Fock states, which are the tensor product states of the adiabatic electronic states…
Quantum simulation of non-Markovian open quantum dynamics is essential but challenging for standard quantum computers due to their non-Hermitian nature, leading to non-unitary evolution, and the limitations of available quantum resources.…
We introduce an approach for quantum computing in continuous time based on the Lewis-Riesenfeld dynamic invariants. This approach allows, under certain conditions, for the design of quantum algorithms running on a nonadiabatic regime. We…