Related papers: Treating geometric phase effects in nonadiabatic d…
Electronic wave-functions in the adiabatic representation acquire nontrivial geometric phases (GPs) when corresponding potential energy surfaces undergo conical intersection (CI). These GPs have profound effects on the nuclear quantum…
Diabatization of the molecular Hamiltonian is a standard approach to removing the singularities of nonadiabatic couplings at conical intersections of adiabatic potential energy surfaces. In general, it is impossible to eliminate the…
A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new…
On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, frequently occurring in this representation conical…
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…
We introduce an operational framework to analyze non-adiabatic Abelian and non-Abelian, cyclic and non-cyclic, geometric phases in open quantum systems. In order to remove the adiabaticity condition, we generalize the theory of dynamical…
Chemical relaxation phenomena, including photochemistry and electron transfer processes, form a vigorous area of research in which nonadiabatic dynamics plays a fundamental role. Here, we show that for nonadiabatic dynamics with two…
Nonadiabatic geometric quantum computation in decoherence-free subspaces has received increasing attention due to the merits of its high-speed implementation and robustness against both control errors and decoherence. However, all the…
We investigate the quantum mechanics of a single particle constrained to move along an arbitrary smooth reference curve by a confinement that is allowed to vary along the waveguide. The Schr\"odinger equation is evaluated in the adapted…
The nonadiabatic geometric quantum computation may be achieved using coupled low-capacitance Josephson juctions. We show that the nonadiabtic effects as well as the adiabatic condition are very important for these systems. Moreover, we find…
We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is…
This work identifies geometric effects on dynamics due to nonadiabatic couplings in Born Oppenheimer systems and provides a systematic method for deriving corrections to mixed quantum-classical methods. Specifically, an exact path integral…
Motivated for the fault tolerant quantum computation, quantum gate by adiabatic geometric phase shift is extensively investigated. In this paper, we demonstrate the nonadiabatic scheme for the geometric phase shift and conditional geometric…
We study nonadiabatic effects of geometric pumping. With arbitrary choices of periodic control parameters, we go beyond the adiabatic approximation to obtain the exact pumping current. We find that a geometrical interpretation for the…
We investigate a simple and robust scheme for choosing the phases of adiabatic electronic states smoothly (as a function of geometry) so as to maximize the performance of ab initio non-adiabatic dynamics methods. Our approach is based upon…
Steering a quantum harmonic oscillator state along cyclic trajectories leads to a path-dependent geometric phase. Here we describe an experiment observing this geometric phase in an electronic harmonic oscillator. We use a superconducting…
Nonadiabatic geometric phases are only dependent on the evolution path of a quantum system but independent of the evolution details, and therefore quantum computation based on nonadiabatic geometric phases is robust against control errors.…
We propose an experimentally feasible scheme to achieve quantum computation based on nonadiabatic geometric phase shifts, in which a cyclic geometric phase is used to realize a set of universal quantum gates. Physical implementation of this…
We derive the interaction of fermions with a dynamical space-time based on the postulate that the description of physics should be independent of the reference frame, which means to require the form-invariance of the fermion action under…
We introduce a self-consistent framework for the analysis of both Abelian and non-Abelian geometric phases associated with open quantum systems, undergoing cyclic adiabatic evolution. We derive a general expression for geometric phases,…