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The molecular junction geometry is modelled in terms of nuclear degrees of freedom that are embedded in a stochastic quantum environment of non-equilibrium electrons. Time-evolution of the molecular geometry is governed via a mean force, a…

Mesoscale and Nanoscale Physics · Physics 2020-10-28 Vincent F. Kershaw , Daniel S. Kosov

Dissipative effects on the nonadiabatic transition for the two and three level systems are studied. When the system is affected by a strong dissipation through the diabatic states, the exact transition probability is enumerated making use…

Materials Science · Physics 2009-11-07 Keiji Saito , Yosuke Kayanuma

Does electron transfer (ET) kinetics within a single-electron trajectory description always coincide with the ensemble description? This fundamental question of ergodic behavior is scrutinized within a very basic semi-classical…

Mesoscale and Nanoscale Physics · Physics 2021-02-02 Igor Goychuk

The interaction between electronic and vibrational degrees of freedom is an important mechanism in nonequilibrium charge transport through molecular nanojunctions. While adiabatic polaron-type coupling has been studied in great detail, new…

Mesoscale and Nanoscale Physics · Physics 2022-06-10 Christoph Kaspar , André Erpenbeck , Jakob Bätge , Christian Schinabeck , Michael Thoss

Theoretical approaches to nonequilibrium many-body dynamics generally rest upon an adiabatic assumption, whereby the true dynamics is represented as a sequence of equilibrium states. Going beyond this simple approximation is a notoriously…

Soft Condensed Matter · Physics 2014-10-15 Andrea Fortini , Daniel de las Heras , Joseph M. Brader , Matthias Schmidt

We present a theoretical study of the rotational dynamics of asymmetry top molecules in an electric field and a parallel non-resonant linearly polarized laser pulse. The time-dependent Schr\"odinger equation is solved within the rigid rotor…

Quantum Physics · Physics 2015-06-16 Juan J. Omiste , Rosario González-Férez

We consider a medium of multilevel atomic systems interacting with radiation pulses. A relatively simple technique of analytic calculations is proposed, which allows revealing all necessary conditions (with sufficient conditions to be…

Quantum Physics · Physics 2012-09-05 G. Grigoryan , V. Chaltykyan , E. Gazazyan , A. Hovhannisyan , O. Tikhova

In this paper, the classical Schr\"odinger equation, which allows the study of classical dynamics in terms of wave functions, is analyzed theoretically and numerically. First, departing from classical (Newtonian) mechanics, and assuming an…

Quantum Physics · Physics 2016-11-23 Albert Benseny , David Tena , Xavier Oriols

Ultralong-range Rydberg molecules provide an exciting testbed for molecular physics at exaggerated scales. In the so-called trilobite and butterfly Rydberg molecules, the Born-Oppenheimer approximation can fail due to strong non-adiabatic…

Atomic Physics · Physics 2023-02-23 Frederic Hummel , Peter Schmelcher , Matthew T. Eiles

To understand the recently observed mysterious non-adiabatic energy transfer for hyperthermal H atom scattering from a semiconductor surface, Ge(111)c(2*8), we present a mixed quantum-classical non-adiabatic molecular dynamics model based…

A novel treatment of non-adiabatic couplings is proposed. The derivation starts from the long-known, but not well-known, fact that the wave function of the complete system of elctrons and nuclei can be written, without approximation, as a…

Materials Science · Physics 2007-05-23 Nikitas I. Gidopoulos , E. K. U. Gross

We study the exact Time-Dependent Potential Energy Surface (TDPES) in the presence of strong non-adiabatic coupling between the electronic and nuclear motion. The concept of the TDPES emerges from the exact factorization of the full…

Chemical Physics · Physics 2013-02-07 Ali Abedi , Federica Agostini , Yasumitsu Suzuki , E. K. U. Gross

Transitions in an artificial atom, driven non-adiabatically through an energy-level avoided crossing, can be controlled by carefully engineering the driving protocol. We have driven a superconducting persistent-current qubit with a…

We introduce and study the adiabatic dynamics of free-fermion models subject to a local Lindblad bath and in the presence of a time-dependent Hamiltonian. The merit of these models is that they can be solved exactly, and will help us to…

Quantum Physics · Physics 2017-11-20 Maximilian Keck , Simone Montangero , Giuseppe E. Santoro , Rosario Fazio , Davide Rossini

In a time-orbiting-potential magnetic trap the neutral atoms are confined by means of an inhomogeneous magnetic field superimposed to an uniform rotating one. We perform an analytic study of the atomic motion by taking into account the…

Soft Condensed Matter · Physics 2009-11-10 Roberto Franzosi , Andrea Spinelli , Bruno Zambon , Ennio Arimondo

In the circuit model of quantum computing, amplitude amplification techniques can be used to find solutions to NP-hard problems defined on $n$-bits in time $\text{poly}(n) 2^{n/2}$. In this work, we investigate whether such general…

We prove an adiabatic theorem that applies at timescales short of the typical adiabatic limit. Our proof analyzes the stability of solutions to Schrodinger's equation under perturbation. We directly characterize cross-subspace effects of…

Quantum Physics · Physics 2024-10-21 Jacob Bringewatt , Michael Jarret , T. C. Mooney

In this work, we revisit the electron transfer rate theory, with particular interests in the distinct quantum solvation effect, and the characterizations of adiabatic/nonadiabatic and Markovian/non-Markovian rate processes. We first present…

Chemical Physics · Physics 2016-09-28 Rui-Xue Xu , Ying Chen , Ping Cui , Hong-Wei Ke , YiJing Yan

An ever broader range of physical platforms provides the possibility to study and engineer quantum dynamics under continuous measurements. In many experimental arrangements the system of interest is monitored by means of an ancillary…

Quantum Physics · Physics 2015-10-19 Ondřej Černotík , Denis V. Vasilyev , Klemens Hammerer

We describe the nonzero temperature (T), low frequency (\omega) dynamics of the order parameter near quantum critical points in two spatial dimensions (d), with a special focus on the regime \hbar\omega << k_B T. For the case of a…

Strongly Correlated Electrons · Physics 2007-05-23 Subir Sachdev