Related papers: Making peace with random phases: Ab initio conical…
A geometric phase is found for a general quantum state that undergoes adiabatic evolution. For the case of eigenstates, it reduces to the original Berry's phase. Such a phase is applicable in both linear and nonlinear quantum systems.…
Quantum technologies based on adiabatic techniques can be highly effective, but often at the cost of being very slow. Here we introduce a set of experimentally realistic, non-adiabatic protocols for spatial state preparation, which yield…
Conical intersections (CI) between molecular potential energy surfaces with non-vanishing non-adiabatic couplings generally occur in any molecule consisting of at least three atoms. They play a fundamental role in describing the molecular…
This paper provides the first ab-initio on-the-fly example of using the Quasi-Diabatic (QD) scheme for non-adiabatic simulations with diabatic dynamics approaches. The QD scheme provides a seamless interface between diabatic quantum…
We investigate the performance of an adiabatic evolution protocol when initialized from a Gibbs state at finite temperature. Specifically, we identify the diagonality of the final state in the energy eigenbasis, as well as the difference in…
Adiabatic quantum computation employs a slow change of a time-dependent control function (or functions) to interpolate between an initial and final Hamiltonian, which helps to keep the system in the instantaneous ground state. When the…
We show that adiabatic evolution of a low-dimensional lattice of quantum spins with a spectral gap can be simulated efficiently. In particular, we show that as long as the spectral gap \Delta E between the ground state and the first excited…
We explain the concept of superadiabatic approximations and show how in the context of the Born- Oppenheimer approximation they lead to an explicit formula that can be used to predict transitions at avoided crossings. Based on this formula,…
Suppression of diabatic transitions in quantum adiabatic evolution stands as a significant challenge for ground state preparations. Counterdiabatic driving has been proposed to compensate for diabatic losses and achieve shortcut to…
We derive an exact solution of an explicitly time-dependent multichannel model of quantum mechanical nonadiabatic transitions. In the limit N >>1, where N is the number of states, we find that the survival probability of the initially…
The systematic analysis of non-adiabatic effect on convective mode has been conducted using wave energy relation. In the adiabatic analysis, the "propagation diagram" for convective mode is proposed as a useful tool to see its behavior. In…
To understand the recently observed mysterious non-adiabatic energy transfer for hyperthermal H atom scattering from a semiconductor surface, Ge(111)c(2*8), we present a mixed quantum-classical non-adiabatic molecular dynamics model based…
From a dynamical viewpoint, basic phase transitions of statistical mechanics can be regarded as a breaking of ergodicity. While many random models exhibiting such transitions at the thermodynamics limit exist, finite-dimensional examples…
Conical intersections between molecular electronic potential surfaces greatly affect various properties of the molecule. Molecular gauge theory is capable of explaining many of these often unexpected phenomena deriving from the physics of…
An accurate description of nonadiabatic dynamics of molecular species on metallic surfaces poses a serious computational challenge associated with a multitude of closely-spaced electronic states. We propose a mixed quantum-classical scheme…
Counterdiabatic driving realizes parameter displacement of an energy eigenstate of a given parametrized Hamiltonian using the adiabatic gauge potential. In this paper, we propose a universal method of digitized counterdiabatic driving,…
The quantization of the electronic two site system interacting with a vibration is considered by using as the integrable reference system the decoupled oscillators resulting from the adiabatic approximation. A specific Bloch projection…
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…
Understanding how non-adiabatic terms affect quantum dynamics is fundamental to improving various protocols for quantum technologies. We present a novel approach to computing the Adiabatic Gauge Potential (AGP), which gives information on…
Electron spins in semiconductor devices are highly promising building blocks for quantum processors (QPs). Commercial semiconductor foundries can create QPs using the same processes employed for conventional chips, once the QP design is…