Related papers: Nonadiabatic ring-polymer instanton rate theory: a…
Semiclassical instanton theory is a form of quantum transition-state theory which can be applied to computing thermal reaction rates for complex molecular systems including quantum tunneling effects. There have been a number of attempts to…
This report presents a new approach for treating the coupling of electrons and nuclei in quantum mechanical calculations for molecules and condensed matter. It includes the standard "Born-Oppenheimer approximation" as a special case but…
Mean-Field Ring Polymer Molecular Dynamics (MF-RPMD) is a powerful, efficient, and accurate method for approximate quantum dynamic simulations of multi-level system dynamics. Initial efforts to compute nonadiabatic reaction rates using…
Quantum annealing is guaranteed to find the ground state of optimization problems in the adiabatic limit. Recent work [Phys. Rev. X 6, 031010 (2016)] has found that for some barrier tunneling problems, quantum annealing can be run much…
Adiabatic quantum optimization has been proposed as a route to solve NP-complete problems, with a possible quantum speedup compared to classical algorithms. However, the precise role of quantum effects, such as entanglement, in these…
The adiabatic approximation is a natural approach for the description of phenomena induced by low frequency laser radiation because the ratio of the laser frequency to the characteristic frequency of an atom or a molecule is a small…
Using the idea of the instanton approach to quantum tunneling we try to obtain a method of calculating spontaneous fission rates for nuclei with the odd number of neutrons or protons. This problem has its origin in the failure of the…
We present two multistate ring polymer instanton (RPI) formulations, both obtained from an exact path integral representation of the quantum canonical partition function for multistate systems. The two RPIs differ in their treatment of the…
We present a description of nuclear spontaneous fission, and generally of quantum tunneling, in terms of instantons - periodic imaginary-time solutions to time-dependent mean-field equations - that allows for a comparison with more familiar…
Nonadiabatic quantum interferences emerge whenever nuclear wavefunctions in different electronic states meet and interact in a nonadiabatic region. In this work, we analyze how nonadiabatic quantum interferences translate in the context of…
Marcus-Levich-Jortner (MLJ) theory is one of the most commonly used methods for including nuclear quantum effects into the calculation of electron-transfer rates and for interpreting experimental data. It divides the molecular problem into…
Adiabatic protocols are employed across a variety of quantum technologies, from implementing state preparation and individual operations that are building blocks of larger devices, to higher-level protocols in quantum annealing and…
We analyse the golden rule limit of the recently proposed isomorphic ring polymer (iso-RP) method. This method aims to combine an exact expression for the quantum mechanical partition function of a system with multiple electronic states…
Optimal performance of thermal machines is reached by suppressing friction. Friction in quantum thermodynamics results from fast driving schemes that generate nonadiabatic excitations. The far-from-equilibrium dynamics of quantum devices…
Fermi energies in fullerene compounds and cuprates are extremely small as consequence of the small number of charge carriers and are comparable to the phonon frequency scale. In this situation the conventional Migdal-Eliashberg theory does…
We study charge pumping when a combination of static potentials and potentials oscillating with a time period T is applied in a one-dimensional system of non-interacting electrons. We consider both an infinite system using the Dirac…
We develop a nonadiabatic theory of phonon magnetic moments applicable to both insulators and metals. By relating the phonon magnetic moment to the force-velocity response of ions in a magnetic field, we derive a gauge-invariant expression…
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…
An adiabatic approach is developed for the problem of boundary friction between two atomically smooth and incommensurate solid surfaces, separated by a monolayer of lubricant atoms. This method permits to consider very slow macroscopic…
We present a simple interpolation formula for the rate of an electron transfer reaction as a function of the electronic coupling strength. The formula only requires the calculation of Fermi Golden Rule and Born-Oppenheimer rates and so can…