4.7 Article

Dissipative geometric phase and decoherence in parity-violating chiral molecules

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 136, 期 17, 页码 -

出版社

AMER INST PHYSICS
DOI: 10.1063/1.4707735

关键词

-

资金

  1. MICINN (Spain) [CTQ2008-02578, FIS2010-18132]
  2. Comunidad Autonoma de Madrid [S-2009/MAT/1467]
  3. Juan de la Cierva from the MICINN
  4. JAE from CSIC

向作者/读者索取更多资源

Within a generalized Langevin framework for open quantum systems, the cyclic evolution of a two-level system is analyzed in terms of the geometric phase extended to dissipative systems for Ohmic friction. This proposal is applied to the dynamics of chiral molecules where the tunneling and parity violating effects are competing. The effect of different system-bath coupling functions in the dissipated energy is shown to be crucial to understand the behavior of the geometric phase as well as the decoherence displayed by the corresponding interference patterns. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4707735]

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.7
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

Review Chemistry, Physical

Atom scattering as a probe of the surface electron-phonon interaction at conducting surfaces

J. R. Manson, G. Benedek, Salvador Miret-Artes

Summary: This review provides a comprehensive analysis of atomic scattering on conducting surfaces, focusing on the elastic and inelastic scattering and the electron-phonon coupling mechanism in the surface electron density. The measurements of elastic and inelastic spectra of atomic scattering can reveal detailed information about the electron-phonon coupling mechanism in the surface electron density.

SURFACE SCIENCE REPORTS (2022)

Review Physics, Multidisciplinary

Stochastic Bohmian and Scaled Trajectories

S. V. Mousavi, S. Miret-Artes

Summary: This review discusses open (dissipative and stochastic) quantum systems within the Bohmian mechanics framework, exploring gradual decoherence processes and different sources of decoherence. Several examples are presented to illustrate the physical principles behind these phenomena, emphasizing the use of trajectories for a clearer understanding.

FOUNDATIONS OF PHYSICS (2022)

Article Physics, Multidisciplinary

Different routes to the classical limit of backflow

S. Mousavi, S. Miret-Artes

Summary: This article analyzes the impact of intrinsic decoherence and dissipative dynamics on backflow effect. Through a comparative analysis of the Milburn method and the Lindblad master equation, as well as an analysis of the quantum-to-classical transition using a linear scaled Schrödinger equation, the article demonstrates that backflow is gradually suppressed by the development of intrinsic decoherence.

JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL (2022)

Article Chemistry, Physical

The stochastic wave function method for diffusion of alkali atoms on metallic surfaces

E. E. Torres-Miyares, D. J. Ward, G. Rojas-Lorenzo, J. Rubayo-Soneira, W. Allison, S. Miret-Artes

Summary: The stochastic wave function method is proposed for studying the diffusion of alkali atoms on metallic surfaces. The Lindblad approach is used to characterize the diffusion of Na-Cu(111) and Li-Cu(111) systems. Comparisons between the calculated intermediate scattering function for isolated adsorbates and results from helium spin-echo experiments show good agreement in the Brownian limit. The results demonstrate that the 1-D quantum model can quantitatively describe the experimental observations.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2023)

Article Chemistry, Physical

Dynamics of Electronically Excited Metal Atoms (Zn and Cd) in Rare Gas Matrices: Simulation of Multiple-band Emission using Molecular Dynamics with Quantum Transitions

Miguel Lara-Moreno, Hassiel Negrin-Yuvero, German Rojas-Lorenzo, John G. McCaffrey

Summary: In this study, the molecular dynamics with quantum transitions approach was used to simulate the spectroscopic characteristics of atomic zinc and cadmium isolated in solid rare gases. The absorption and emission spectra were simulated, and non-radiative processes were found to play a fundamental role in the transfer of population among the electronic states. Three distinct relaxation pathways were identified, two of which were related to the previous works on the formation of a square planar configuration, while the third pathway involved motion on a hexagonal close packed plane. The temperature dependence of complex formation was also determined for these pathways.

CHEMPHYSCHEM (2023)

Article Chemistry, Physical

Vibrational Funnels for Energy Transfer in Organic Chromophores

Hassiel Negrin-Yuvero, Victor Manuel Freixas, Dianelys Ondarse-Alvarez, Laura Alfonso-Hernandez, German Rojas-Lorenzo, Adolfo Bastida, Sergei Tretiak, Sebastian Fernandez-Alberti

Summary: Photoinduced intramolecular energy transfers in multichromophoric molecules occur through specific motion directions guided by nonadiabatic coupling vectors, forming energy transfer funnels. Vibrational funnels can support persistent coherences between electronic states and reveal minor energy transfer pathways. Nonadiabatic excited-state molecular dynamics simulations with frozen nuclear motions can confirm the role of vibrational funnels in interchromophoric energy transfer. Our work highlights the usefulness of this strategy in identifying and evaluating the impact of vibrational funnels on energy transfer processes and guiding the design of materials with tunable properties and enhanced functionalities. Furthermore, we encourage the application of this methodology to various chemical and biochemical processes, such as reactive scattering and protein conformational changes.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2023)

Article Multidisciplinary Sciences

Quantum Classical Transition for Mixed States: The Scaled Von Neumann Equation

S. V. Mousavi, S. Miret-Artes

Summary: In this work, a smooth transition wave equation from quantum to classical regime is proposed in the framework of the von Neumann formalism for ensembles, and an equivalent scaled equation is obtained. This leads to the development of a scaled nonequilibrium statistical mechanics based on the well-known Wigner-Moyal approach. The scaled theory encompasses both classical and quantum ingredients, describing all dynamical regimes between the two extreme cases. Finally, a simple application of the scaled formalism to the reflection of a mirror is analyzed by computing various quantities.

SYMMETRY-BASEL (2023)

Article Chemistry, Physical

Recent Developments in Kramers' Theory of Reaction Rates

Eli Pollak, Salvador Miret-Artes

Summary: In this review, we summarize the recent developments in Kramers' theory of reaction rates. We emphasize the importance of this theory in chemical reactions and discuss the main theoretical formalism based on the generalized Langevin equation and the modern Pollak, Grabert and Hanggi theory. The applications of Kramers' theory in quantum and classical surface diffusion are outlined, and recent applications in various fields such as nanoparticle levitation, microcavity polariton dynamics, and reaction simulation in liquids are presented. The open problems and future challenges of Kramers turnover theory are also discussed.

CHEMPHYSCHEM (2023)

Article Chemistry, Physical

The role of high-energy phonons in electron-phonon interaction at conducting surfaces with helium-atom scattering

G. Benedek, J. R. Manson, Salvador Miret-Artes

Summary: Based on recent experimental data, this study suggests that the non-linear deviations of the Debye-Waller exponent temperature-dependence observed in conducting surfaces or supported metal overlayers with high-resolution He-atom scattering can identify the specific role of high-energy phonons in the surface electron-phonon mass-enhancement factor.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Article Astronomy & Astrophysics

Minimal model for the Bekenstein-Hawking entropy

Pedro Bargueno, Ernesto Contreras

Summary: In this work, we derive the Bekenstein-Hawking entropy formula, S = A/4l(p)(2), from minimal assumptions. These assumptions include the existence of a minimum area, A(min), proportional to l(p)(2); the event horizon area, A, being tessellated by distinguishable units; and these units having an infinite tower of internal levels. Our model-independent results can be realized as excitations of more fundamental entities, like strings or loop quantum gravity spin networks. When considering the microstates of the black hole as singlets within the infinite tower of states describing the whole event horizon, our model also yields the correction term - 3/2 log A. We also discuss the applicability of our model to extremal black holes and its potential relationships with spectral geometry and other approaches.

PHYSICAL REVIEW D (2022)

Article Chemistry, Physical

Atom-surface scattering in the classical multiphonon regime

J. R. Manson, S. Miret-Artes

Summary: This article reviews the work of the authors over several years, aiming to develop theoretical frameworks using classical physics to describe the scattering interactions between atoms and surfaces.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Article Chemistry, Physical

Surface diffusion within the Caldeira-Leggett formalism

E. E. Torres-Miyares, G. Rojas-Lorenzo, J. Rubayo-Soneira, S. Miret-Artes

Summary: Surface diffusion is analyzed in terms of the intermediate scattering function in the time domain and reciprocal space. The open dynamics is studied using the master equation for the reduced density matrix within the Caldeira-Leggett formalism. Several characteristic magnitudes in this decoherence process are investigated. Comparison between analytical results and numerical analysis is also performed.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Article Chemistry, Physical

Perturbation theory of scattering for grazing-incidence fast-atom diffraction

William Allison, Salvador Miret-Artes, Eli Pollak

Summary: Recent GIFAD experiments have shown that the distance between classical rainbow angles depends on the incident energy. Analyzing the experiments using classical perturbation theory, it is concluded that the dynamic corrugation amplitude is proportional to the tangent of the rainbow angle within first-order perturbation theory. This implies that the dynamic corrugation amplitude does not provide additional information compared to the rainbow angle and its energy dependence. Moreover, the resulting analytic theory reveals how the energy dependence of rainbow angles can be used to understand the force field governing the interaction between the incident projectile and the surface.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Article Astronomy & Astrophysics

Spectral geometry and black holes degrees of freedom

Pedro Bargueno, Ernesto Contreras

Summary: In this work, we demonstrate that introducing an appropriate cutoff in the spectra of the Laplacian of a spherically symmetric and static black hole reveals an equivalence between shape and holographic degrees of freedom. Furthermore, the introduced cutoff leads to a correction to the Bekenstein-Hawking entropy that resembles the corrections found in holographic loop quantum gravity, generalized uncertainty principle, and entanglement entropy. However, extending these results to nonspherically symmetric black holes remains challenging.

PHYSICAL REVIEW D (2022)

暂无数据