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Nonadiabatic dynamics methods are an essential tool for investigating photochemical processes. In the context of employing first principles electronic structure techniques, such simulations can be carried out in a practical manner using…

Chemical Physics · Physics 2024-05-08 Jonathan R. Mannouch , Aaron Kelly

Time-resolved spectroscopy is a powerful tool for probing electron dynamics in molecules and solids, revealing transient phenomena on sub-femtosecond timescales. The interpretation of experimental results is often enhanced by parallel…

Computational Physics · Physics 2025-05-02 Cian Reeves , Michael Kurniawan , Yuanran Zhu , Nikil Jampana , Jacob Brown , Chao Yang , Khaled Ibrahim , Vojtech Vlcek

We propose a two-step protocol for inverting ultrafast spectroscopy experiments on a molecular aggregate to extract the time-evolution of the excited state density matrix. The first step is a deconvolution of the experimental signal to…

Quantum Physics · Physics 2013-05-29 Stephan Hoyer , K. Birgitta Whaley

Time-resolved photoemission spectroscopy provides a unique and direct way to explore the real-time nonequilibrium dynamics of electrons and holes. The formal theory of the spectral function evolution requires inclusion of electronic…

Materials Science · Physics 2025-05-09 Thomas Blommel , Enrico Perfetto , Gianluca Stefanucci , Vojtěch Vlček

One of the most fascinating and puzzling aspects of non-Hermitian systems is their spectral degeneracies, i.e., exceptional points (EPs), at which both eigenvalues and eigenvectors coalesce to form a defective state space. While coupled…

Mesoscale and Nanoscale Physics · Physics 2023-03-08 Kuangyin Deng , Xin Li , Benedetta Flebus

We study spin dynamics in a two-dimensional electron gas with a pure gauge non-Abelian spin-orbit field, for which systems with balanced Rashba and Dresselhaus spin-orbit couplings, and the (110)-axis grown GaAs quantum wells are typical…

Mesoscale and Nanoscale Physics · Physics 2010-10-20 I. V. Tokatly , E. Ya. Sherman

Dynamic trajectories can be modeled with a Markov State Model (MSM). The reduction of continuous space coordinates to discretized coordinates can be done by statistical binning process. In addition to that, the transition probabilities can…

Statistical Mechanics · Physics 2015-06-02 Efe Ilker

Multidimensional spectroscopy unveils the interplay of nuclear and electronic dynamics, which characterizes the ultrafast dynamics of various molecular and solid-state systems. In a class of models widely used for the simulation of such…

Quantum Physics · Physics 2023-08-28 Frank Ernesto Quintela Rodriguez , Filippo Troiani

In the last two decades, non-equilibrium spectroscopies have evolved from avant-garde studies to crucial tools for expanding our understanding of the physics of strongly correlated materials. The possibility of obtaining simultaneously…

Recent interest in the role of quantum mechanics in the primary events of photosynthetic energy transfer has led to a convergence of nonlinear optical spectroscopy and quantum optics on the topic of energy-transfer dynamics in…

Quantum Physics · Physics 2014-01-23 Agata M. Branczyk , Daniel B. Turner , Gregory D. Scholes

In an ultra-clean 2D electron system (2DES) subjected to crossed millimeterwave (30--150 GHz) and weak (B < 2 kG) magnetic fields, a series of apparently dissipationless states emerges as the system is detuned from cyclotron resonances.…

Strongly Correlated Electrons · Physics 2009-11-07 M. A. Zudov , R. R. Du , L. N. Pfeiffer , K. W. West

We perform a magneto-optical study of a two-dimensional electron systems (2DES) in the regime of the Stoner ferromagnetic instability for even quantum Hall filling factors on Mg$_x$Zn$_{1-x}$O/ZnO heterostructures. Under conditions of…

Mesoscale and Nanoscale Physics · Physics 2017-12-06 A. B. Van'kov , B. D. Kaysin , I. V. Kukushkin

We consider an Ehrenfest approximation for a particle in a double-well potential in the presence of an external environment schematized as a finite resource heat bath. This allows us to explore how the limitations in the applicability of…

Quantum Physics · Physics 2015-10-09 Stephen Choi , Roberto Onofrio , Bala Sundaram

Experimental auto- and cross-correlation functions and their corresponding spectral density functions are extracted from measured sweep data of mode-stirred fields. These are compared with theoretical models derived in part I, using…

Classical Physics · Physics 2024-04-05 Luk R. Arnaut , John M. Ladbury

Excited state proton transfer is an ubiquitous phenomenon in biology and chemistry, spanning from the ultrafast reactions of photo-bases and acids to light-driven, enzymatic catalysis and photosynthesis. However, the simulation of such…

Chemical Physics · Physics 2024-10-18 Brieuc Le Dé , Simon Huppert , Riccardo Spezia , Alex W. Chin

On- and off-axis electron energy loss spectroscopy (EELS) is a powerful method for probing local electronic structure on single atom level. However, many materials undergo electron-beam induced transformation during the scanning…

Materials Science · Physics 2023-10-23 Kevin M. Roccapriore , Riccardo Torsi , Joshua Robinson , Sergei V. Kalinin , Maxim Ziatdinov

A novel quantum control protocol utilizing two-photon processes with trigonometric pulse modulation is developed, enabling the intermediate state population's dynamic elimination (DE). The proposed DE technique excels at single-photon…

Quantum Physics · Physics 2025-07-04 Sebastian C. Carrasco , Sean Lourette , Ignacio Sola , Vladimir S. Malinovsky

Ab initio modeling of conical intersection dynamics is crucial for various photochemical, photophysical, and biological processes. However, adiabatic electronic states obtained from electronic structure computations involve random phases,…

Chemical Physics · Physics 2024-06-13 Xiaotong Zhu , Bing Gu

We introduce a discrete-time quantum dynamics on a two-dimensional lattice that describes the evolution of a $1+1$-dimensional spin system. The underlying quantum map is constructed such that the reduced state at each time step is…

Quantum Physics · Physics 2019-02-11 I. Lesanovsky , Katarzyna Macieszczak , Juan P. Garrahan

In this paper we develop an analytical framework for the study of electrochemical impedance of mixed ionic and electronic conductors (MIEC). The framework is based on first-principles and it features the coupling of electrochemical…

Chemical Physics · Physics 2017-08-23 Francesco Ciucci , Yong Hao , David G. Goodwin