相关论文: A study of the decoherence correction derived from…
Stellarator optimization is a multi-objective, non-convex problem characterized by a complex objective landscape containing many local minima. The solution resulting from a single optimization is highly sensitive to factors such as the…
We study low-energy dynamics generated by a two-dimensional two-state Jahn-Teller Hamiltonian in the vicinity of a conical intersection using quantum wavepacket and trajectories dynamics. Recently, these dynamics were studied by comparing…
Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semiclassical approximation, that is as…
In this paper we provide a detailed description of the inchworm Monte Carlo formalism for the exact study of real-time non-adiabatic dynamics. This method optimally recycles Monte Carlo information from earlier times to greatly suppress the…
The dynamic disorder model for charge carrier transport in organic semiconductors has been extensively studied in recent years. Although it is successful on determining the value of bandlike mobility in the organic crystalline materials,…
Coarse-grained modeling of dynamics on vicinal surfaces concentrates on the diffusion of adatoms on terraces with boundary conditions at sharp steps, as first studied by Burton, Cabrera and Frank (BCF). Recent electromigration experiments…
We analyze the decoherence of a particle's spatial superposition moving along a stationary worldline through the Minkowski vacuum. The particle is modeled via an internal degree of freedom that couples to a scalar field, and an external…
We study the decaying dynamics in the mirror-field interaction by means of the intrinsic decoherence scheme. Factorization of the mirror-field Hamiltonian with the use of displacement operators, allows us to calculate the explicit solution…
In this work, we describe various improved implementations of the mapping approach to surface hopping (MASH) for simulating nonadiabatic dynamics. These include time-reversible and piecewise-continuous integrators, which is only formally…
We present an alternative, univocal characterization of the continuous transition from atomic to molecular shape in the Coulomb system constituted by two identical particles and a third particle with the opposite charge, as the mass ratio…
Trajectory-based mixed quantum-classical approaches to coupled electron-nuclear dynamics suffer from well-studied problems such as the lack of (or incorrect account for) decoherence in the trajectory surface hopping method and the inability…
A numerically exact Monte Carlo scheme for calculation of open quantum system dynamics is proposed and implemented. The method consists of a Monte-Carlo summation of a perturbation expansion in terms of trajectories in Liouville phase-space…
We describe the decoherence process induced on a two-level quantum system in direct interaction with a non-equilibrium environment. The non-equilibrium feature is represented by a non-stationary random function corresponding to the…
Here we outline and test an extension of the energy grained master equation (EGME) for treating nonadiabatic (NA) hopping between different potential energy surfaces, which enables us to model the competition between stepwise collisional…
In the study of non-adiabatic chemical processes such as photocatalysis and photosynthesis, non-adiabatic molecular dynamics (NAMD) is an indispensable theoretical tool, which requires precise potential energy surfaces (PESs) of ground and…
An extension of the CCS-method [Chem. Phys. 2004, 304, p. 103-120] for simulating non-adiabatic dynamics with quantum effects of the nuclei is put forward. The time-dependent Schr\"{o}dinger equation for the motion of the nuclei is solved…
We present a novel semiclassical phase-space surface hopping approach that goes beyond the Born-Oppenheimer approximation and all existing surface hopping formalisms. We demonstrate that working with a correct phase-space electronic…
We obtain an exact matrix product steady state for a class of multi species asymmetric simple exclusion process with impurities, under periodic boundary condition. Alongside the usual hopping dynamics, an additional flip dynamics is…
In a one-dimensional (1D) superconductor, zero temperature quantum fluctuations destroy phase coherence. Here we put forward a mechanism which can restore phase coherence: power-law hopping. We study a 1D attractive-U Hubbard model with…
Given a factorization of an image into a sum of linear components, we present a zero-shot method to control each individual component through diffusion model sampling. For example, we can decompose an image into low and high spatial…