Related papers: Nonadiabatic ImF instanton rate theory
Electron transfer reactions play an essential role in many chemical and biological processes. Fermi's Golden rule, which assumes that the coupling between electronic states is small, has formed the foundation of electron transfer rate…
We describe a path-integral molecular dynamics implementation of our recently developed golden-rule quantum transition-state theory (GR-QTST). The method is applied to compute the reaction rate in various models of electron transfer and…
The limit of decreasing laser frequency can not be considered independently from nondipole effects due to increase in the laser-induced continuum electron speed in this limit. Therefore, in this work, tunneling ionization in the adiabatic…
Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-GGA exchange-correlation functional in ab initio molecular dynamics simulations, we determine the insulator-metal transition…
Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insight, we propose a quantum trajectory mean-field approach for…
A nonlinear Landau-Zener model was proposed recently to describe, among a number of applications, the nonadiabatic transition of a Bose-Einstein condensate between Bloch bands. Numerical analysis revealed a striking phenomenon that…
Canonical instanton theory is known to overestimate the rate constant close to a system-dependent crossover temperature and is inapplicable above that temperature. We compare the accuracy of the reaction rate constants calculated using…
Non-adiabatic decay rates for a radio-frequency dressed magnetic trap are calculated using Fermi's Golden Rule: that is, we examine the probability for a single atom to make transitions out of the dressed trap and into a continuum in the…
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…
Equilibrium rate theories play a crucial role in understanding rare, reactive events. However, they are inapplicable to a range of irreversible processes in systems driven far from thermodynamic equilibrium like active and biological…
Recent advances in many-body physics have made it possible to study correlated electron systems at the two-particle level. In Dynamical Mean-Field theory, it has been shown that the metal-insulator phase diagram is closely related to the…
We present a new way to compute and interpret quantum tunneling in a 1-D double-well potential. For large transition time we show that the quantum action functional gives an analytical expression for tunneling amplitudes. This has been…
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…
We propose a novel method to describe realistically ionization processes with absorbing boundary conditions in basis expansion within the formalism of the so-called Non-Adiabatic Quantum Molecular Dynamics. This theory couples…
A shortcut-to-adiabatic protocol for the realization of a fast and high-fidelity controlled-phase gate in Rydberg atoms is developed. The adiabatic state transfer, driven in the high-blockade limit, is sped up by compensating nonadiabatic…
The instanton--antiinstanton pair induced asymptotics of perturbation theory expansion for QCD correlators is considered. It is argued that though the true asymptotics is dominated by renormalon, the instanton-induced contribution may…
Instanton methods, in which imaginary-time evolution gives the tunneling rate, have been widely used for studying quantum tunneling in various contexts. Nevertheless, how accurate instanton methods are for the problems of macroscopic…
Mean-field Ring Polymer Molecular Dynamics (MF-RPMD) offers a computationally efficient method for the simulation of reaction rates in multi-level systems. Previous work has established that, to model a nonadiabatic state-to-state reaction…
A formula suitable for a quantitative evaluation of the tunneling effect in a ferromagnetic particle is derived with the help of the instanton method. The tunneling between n-th degenerate states of neighboring wells is dominated by a…
The quantum phase transition in iron-based superconductors with 'half-Dirac' node at the electron Fermi surface as a $T=0$ structural phase transition described in terms of nematic order is discussed. An effective low energy theory that…