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Here, we propose a platform based on ultra-cold fermionic molecules trapped in optical lattices to simulate nonadiabatic effects, as they appear in certain molecular dynamical problems. The idea consists of a judicious choice of two…

Quantum Gases · Physics 2025-09-25 Javier Argüello-Luengo , Alejandro González-Tudela , J. Ignacio Cirac

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…

Chemical Physics · Physics 2022-07-20 Yanze Wu , Xuezhi Bian , Jonathan Rawlinson , Robert G. Littlejohn , Joseph E. Subotnik

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…

Chemical Physics · Physics 2014-08-08 Wei Feng , Luting Xu , Xin-Qi Li , Weihai Fang , YiJing Yan

Realistic simulations of current ultra-cold atoms experiments in optical lattices show that the ramping up of the optical lattice is significantly nonadiabatic, implying that experimentally prepared Mott insulators are not really in the…

Disordered Systems and Neural Networks · Physics 2015-05-13 Jakub Zakrzewski , Dominique Delande

We present an approach for carrying out non-adiabatic molecular dynamics simulations of systems in which non-adiabatic transitions arise from the coupling between the classical atomic motions and a quasi-continuum of electronic quantum…

Computational Physics · Physics 2018-11-21 Jerome Daligault , Dmitry Mozyrsky

We examine here the classical dynamics of cold atoms in square optical lattices, i.e. lattices obtained with two orthogonal stationary plane waves. Contrary to much of the past studies in this domain, the potential is here time independent…

Atomic Physics · Physics 2015-05-13 Daniel Hennequin , Philippe Verkerk

The classical walking behaviors of a single atom in an amplitude-modulated standing wave lattice beyond the internal dynamics are investigated. Based on a simple effective model, we identify a diversity of dynamic regimes of atomic motion…

Quantum Physics · Physics 2014-03-24 Lin Zhang , H. Y. Kong , S. X. Qu

A novel mixed quantum-classical approach to simulating nonadiabatic dynamics of molecules at metal surfaces is presented. The method combines the numerically exact hierarchical equations of motion approach for the quantum electronic degrees…

Mesoscale and Nanoscale Physics · Physics 2024-05-06 Samuel L. Rudge , Christoph Kaspar , Robin L. Grether , Steffen Wolf , Gerhard Stock , Michael Thoss

An approach to non-adiabatic dynamics of atoms in molecular and condensed matter systems under general non-equilibrium conditions is proposed. In this method interaction between nuclei and electrons is considered explicitly up to the second…

Materials Science · Physics 2018-08-01 L. Kantorovich

We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order approximation to the exact coupled dynamics of electrons and…

Chemical Physics · Physics 2015-06-22 Federica Agostini , Ali Abedi , E. K. U. Gross

We introduce an improved semiclassical dynamics approach to quantum vibrational spectroscopy. In this method, a harmonic-based phase space sampling is preliminarily driven toward non-harmonic quantization by slowly switching on the actual…

Chemical Physics · Physics 2019-12-09 Riccardo Conte , Lorenzo Parma , Chiara Aieta , Alessandro Rognoni , Michele Ceotto

Every physical regime is some sort of approximation of reality. One lesser-known realm that is the semiquantal regime, which may be used to describe systems with both classical and quantum subcomponents. In the present review, we discuss…

Chaotic Dynamics · Physics 2009-11-07 Mason A. Porter

The accelerated optical lattice has emerged as a valuable technique for the investigation of quantum transport physics and has found widespread application in quantum sensing, including atomic gravimeters and atomic gyroscopes. In our…

Quantum Gases · Physics 2023-09-14 Guoling Yin , Lingchii Kong , Zhongcheng Yu , Jinyuan Tian , Xuzong Chen , Xiaoji Zhou

An alternative methodology to investigate indirect polyatomic processes with quasi-classical trajectories is proposed, which effectively avoids any binning or weighting procedure while provides rovibrational resolution. Initial classical…

A theoretical approach for a non-perturbative dynamical description of two interacting atoms in an optical lattice potential is introduced. The approach builds upon the stationary eigenstates found by a procedure described in Grishkevich et…

Quantum Gases · Physics 2015-06-11 Philipp-Immanuel Schneider , Sergey Grishkevich , Alejandro Saenz

We present a novel quantum-classical approach to non-adiabatic dynamics, deduced from the coupled electronic and nuclear equations in the framework of the exact factorization of the electron-nuclear wave function. The method is based on the…

Chemical Physics · Physics 2015-08-19 Seung Kyu Min , Federica Agostini , E. K. U. Gross

We consider a simple model of lossless interaction between a two-level single atom and a standing-wave single-mode laser field which creates a one-dimensional optical lattice. Internal dynamics of the atom is governed by the laser field…

Quantum Physics · Physics 2011-11-09 V. Yu. Argonov , S. V. Prants

The transport of ultra-cold atoms in magneto-optical potentials provides a clean setting in which to investigate the distinct predictions of classical versus quantum dynamics for a system with coupled degrees of freedom. In this system,…

In this paper, we report a numerical method for analyzing optical radiation from a two-level atom. The proposed method can consistently consider the optical emission and absorption process of an atom, and also the interaction between atoms…

Optics · Physics 2019-05-29 Hideaki Taniyama , Hisashi Sumikura , Masaya Notomi

Dynamics of neutral atoms in nonuniform magnetic fields, typical of quadrupole magnetic traps, is considered by applying an accurate method for solving nonlinear systems of differential equations. This method is more general than the…

Atomic Physics · Physics 2009-10-30 V. I. Yukalov
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