Spectral properties of molecular oligomers. A non-Markovian quantum state diffusion approach

Absorption spectra of small molecular aggregates (oligomers) are considered. The dipole-dipole interaction between the monomers leads to shifts of the oligomer spectra with respect to the monomer absorption. The line-shapes of monomer as well as oligomer absorption depend strongly on the coupling to vibrational modes. Using a recently developed approach [Roden et. al, PRL 103, 058301] we investigate the length dependence of spectra of one-dimensional aggregates for various values of the interaction strength between the monomers. It is demonstrated, that the present approach is well suited to describe the occurrence of the J- and H-bands

Non-Markovian quantum state diffusion for absorption spectra of molecular aggregates

In many molecular systems one encounters the situation where electronic excitations couple to a quasi-continuum of phonon modes. That continuum may be highly structured e.g. due to some weakly damped high frequency modes. To handle such a situation, an approach combining the non-Markovian quantum state diffusion (NMQSD) description of open quantum systems with an efficient but abstract approximation was recently applied to calculate energy transfer and absorption spectra of molecular aggregates [Roden, Eisfeld, Wolff, Strunz, PRL 103 (2009) 058301]. To explore the validity of the used approximation for such complicated systems, in the present work we compare the calculated (approximative) absorption spectra with exact results. These are obtained from the method of pseudomodes, which we show to be capable of determining the exact spectra for small aggregates and a few pseudomodes. It turns out that in the cases considered, the results of the two approaches mostly agree quite well. The advantages and disadvantages of the two approaches are discussed

Decoherence and Entanglement Dynamics in Fluctuating Fields

We study pure phase damping of two qubits due to fluctuating fields. As frequently employed, decoherence is thus described in terms of random unitary (RU) dynamics, i.e., a convex mixture of unitary transformations. Based on a separation of the dynamics into an average Hamiltonian and a noise channel, we are able to analytically determine the evolution of both entanglement and purity. This enables us to characterize the dynamics in a concurrence-purity (CP) diagram: we find that RU phase damping dynamics sets constraints on accessible regions in the CP plane. We show that initial state and dynamics contribute to final entanglement independently.Comment: 10 pages, 5 figures, added minor changes in order to match published versio

Quantum Decoherence of Two Qubits

It is commonly stated that decoherence in open quantum systems is due to growing entanglement with an environment. In practice, however, surprisingly often decoherence may equally well be described by random unitary dynamics without invoking a quantum environment at all. For a single qubit, for instance, pure decoherence (or phase damping) is always of random unitary type. Here, we construct a simple example of true quantum decoherence of two qubits: we present a feasible phase damping channel of which we show that it cannot be understood in terms of random unitary dynamics. We give a very intuitive geometrical measure for the positive distance of our channel to the convex set of random unitary channels and find remarkable agreement with the so-called Birkhoff defect based on the norm of complete boundedness.Comment: 5 pages, 4 figure

Influence of Complex Exciton-Phonon Coupling on Optical Absorption and Energy Transfer of Quantum Aggregates

We present a theory that efficiently describes the quantum dynamics of an electronic excitation that is coupled to a continuous, highly structured phonon environment. Based on a stochastic approach to non-Markovian open quantum systems, we develop a dynamical framework that allows us to handle realistic systems where a fully quantum treatment is desired yet the usual approximation schemes fail. The capability of the method is demonstrated by calculating spectra and energy transfer dynamics of mesoscopic molecular aggregates, elucidating the transition from fully coherent to incoherent transfer

Discrete Symmetries in the Weyl Expansion for Quantum Billiards

We consider two and three-dimensional quantum billiards with discrete symmetries. We derive the first terms of the Weyl expansion for the level density projected onto the irreducible representations of the symmetry group. As an illustration the method is applied to the icosahedral billiard. The paper was published in J. Phys. A /27/ (1994) 4317-4323Comment: 8 printed pages Latex fil

Non-Markovian stochastic Schr\"odinger equations: Generalization to real-valued noise using quantum measurement theory

Do stochastic Schr\"odinger equations, also known as unravelings, have a physical interpretation? In the Markovian limit, where the system {\em on average} obeys a master equation, the answer is yes. Markovian stochastic Schr\"odinger equations generate quantum trajectories for the system state conditioned on continuously monitoring the bath. For a given master equation, there are many different unravelings, corresponding to different sorts of measurement on the bath. In this paper we address the non-Markovian case, and in particular the sort of stochastic \sch equation introduced by Strunz, Di\' osi, and Gisin [Phys. Rev. Lett. 82, 1801 (1999)]. Using a quantum measurement theory approach, we rederive their unraveling which involves complex-valued Gaussian noise. We also derive an unraveling involving real-valued Gaussian noise. We show that in the Markovian limit, these two unravelings correspond to heterodyne and homodyne detection respectively. Although we use quantum measurement theory to define these unravelings, we conclude that the stochastic evolution of the system state is not a true quantum trajectory, as the identity of the state through time is a fiction.Comment: 17 pages, 3 figure

Changes in cardiac heparan sulfate proteoglycan expression and streptozotocin-induced diastolic dysfunction in rats

<p>Abstract</p> <p>Background</p> <p>Changes in the proteoglycans glypican and syndecan-4 have been reported in several pathological conditions, but little is known about their expression in the heart during diabetes. The aim of this study was to investigate in vivo heart function changes and alterations in mRNA expression and protein levels of glypican-1 and syndecan-4 in cardiac and skeletal muscles during streptozotocin (STZ)-induced diabetes.</p> <p>Methods</p> <p>Diabetes was induced in male Wistar rats by STZ administration. The rats were assigned to one of the following groups: control (sham injection), after 24 hours, 10 days, or 30 days of STZ administration. Echocardiography was performed in the control and STZ 10-day groups. Western and Northern blots were used to quantify protein and mRNA levels in all groups. Immunohistochemistry was performed in the control and 30-day groups to correlate the observed mRNA changes to the protein expression.</p> <p>Results</p> <p>In vivo cardiac functional analysis performed using echocardiography in the 10-day group showed diastolic dysfunction with alterations in the peak velocity of early (E) diastolic filling and isovolumic relaxation time (IVRT) indices. These functional alterations observed in the STZ 10-day group correlated with the concomitant increase in syndecan-4 and glypican-1 protein expression. Cardiac glypican-1 mRNA and skeletal syndecan-4 mRNA and protein levels increased in the STZ 30-day group. On the other hand, the amount of glypican in skeletal muscle was lower than that in the control group. The same results were obtained from immunohistochemistry analysis.</p> <p>Conclusion</p> <p>Our data suggest that membrane proteoglycans participate in the sequence of events triggered by diabetes and inflicted on cardiac and skeletal muscles.</p

Defect-induced perturbations of atomic monolayers on solid surfaces

We study long-range morphological changes in atomic monolayers on solid substrates induced by different types of defects; e.g., by monoatomic steps in the surface, or by the tip of an atomic force microscope (AFM), placed at some distance above the substrate. Representing the monolayer in terms of a suitably extended Frenkel-Kontorova-type model, we calculate the defect-induced density profiles for several possible geometries. In case of an AFM tip, we also determine the extra force exerted on the tip due to the tip-induced de-homogenization of the monolayer.Comment: 4 pages, 2 figure

Driven Dynamics: A Probable Photodriven Frenkel-Kontorova Model

In this study, we examine the dynamics of a one-dimensional Frenkel-Kontorova chain consisting of nanosize clusters (the ''particles'') and photochromic molecules (the ''bonds''), and being subjected to a periodic substrate potential. Whether the whole chain should be running or be locked depends on both the frequency and the wavelength of the light (keeping the other parameters fixed), as observed through numerical simulation. In the locked state, the particles are bound at the bottom of the external potential and vibrate backwards and forwards at a constant amplitude. In the running state, the initially fed energy is transformed into directed motion as a whole. It is of interest to note that the driving energy is introduced to the system by the irradiation of light, and the driven mechanism is based on the dynamical competition between the inherent lengths of the moving object (the chain) and the supporting carrier (the isotropic surface). However, the most important is that the light-induced conformational changes of the chromophore lead to the time-and-space dependence of the rest lengths of the bonds.Comment: 4 pages,5 figure