3,549 research outputs found
Coherent exciton-vibrational dynamics and energy transfer in conjugated organics
Coherence, signifying concurrent electron-vibrational dynamics in complex natural and man-made systems, is currently a subject of intense study. Understanding this phenomenon is important when designing carrier transport in optoelectronic materials. Here, excited state dynamics simulations reveal a ubiquitous pattern in the evolution of photoexcitations for a broad range of molecular systems. Symmetries of the wavefunctions define a specific form of the non-adiabatic coupling that drives quantum transitions between excited states, leading to a collective asymmetric vibrational excitation coupled to the electronic system. This promotes periodic oscillatory evolution of the wavefunctions, preserving specific phase and amplitude relations across the ensemble of trajectories. The simple model proposed here explains the appearance of coherent exciton-vibrational dynamics due to non-adiabatic transitions, which is universal across multiple molecular systems. The observed relationships between electronic wavefunctions and the resulting functionalities allows us to understand, and potentially manipulate, excited state dynamics and energy transfer in molecular materials.Fil: Nelson, Tammie R.. Los Alamos National Laboratory; Estados UnidosFil: Ondarse Alvarez, Dianelys. Consejo Nacional de Investigaciones CientÃficas y Técnicas; Argentina. Universidad Nacional de Quilmes; ArgentinaFil: Oldani, Andres Nicolas. Universidad Nacional de Quilmes; Argentina. Consejo Nacional de Investigaciones CientÃficas y Técnicas; ArgentinaFil: RodrÃguez Hernández, Beatriz. Universidad Nacional de Quilmes; Argentina. Consejo Nacional de Investigaciones CientÃficas y Técnicas; ArgentinaFil: Alfonso Hernandez, Laura. Consejo Nacional de Investigaciones CientÃficas y Técnicas; Argentina. Universidad Nacional de Quilmes; ArgentinaFil: Galindo, Johan F.. Universidad Nacional de Colombia; ColombiaFil: Kleiman, Valeria D.. University of Florida; Estados UnidosFil: Fernández Alberti, Sebastián. Consejo Nacional de Investigaciones CientÃficas y Técnicas; Argentina. Universidad Nacional de Quilmes; ArgentinaFil: Roitberg, Adrián. University of Florida; Estados UnidosFil: Tretiak, Sergei. Los Alamos National Laboratory; Estados Unido
First order phase transition in the anisotropic quantum orbital compass model
We investigate the anisotropic quantum orbital compass model on an infinite
square lattice by means of the infinite projected entangled-pair state
algorithm. For varying values of the and coupling constants of the
model, we approximate the ground state and evaluate quantities such as its
expected energy and local order parameters. We also compute adiabatic time
evolutions of the ground state, and show that several ground states with
different local properties coexist at . All our calculations are
fully consistent with a first order quantum phase transition at this point,
thus corroborating previous numerical evidence. Our results also suggest that
tensor network algorithms are particularly fitted to characterize first order
quantum phase transitions.Comment: 4 pages, 3 figures, major revision with new result
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