Second-order Møller-Plesset perturbation theory without basis set superposition error : II : open-shell systems

The basis set superposition error-free second-order MØller-Plesset perturbation theory of intermolecular interactions was studied. The difficulties of the counterpoise (CP) correction in open-shell systems were also discussed. The calculations were performed by a program which was used for testing the new variants of the theory. It was shown that the CP correction for the diabatic surfaces should be preferred to the adiabatic ones

Separability and distillability of multiparticle quantum systems

We present a family of 3-qubit states to which any arbitrary state can be depolarized. We fully classify those states with respect to their separability and distillability properties. This provides a sufficient condition for nonseparability and distillability for arbitrary states. We generalize our results to N-particle states.

Non-Markovian dynamics and quantum information probes

This Thesis discusses the phenomenology of the dynamics of open quantum systems marked by non-Markovian memory effects. Non-Markovian open quantum systems are the focal point of a flurry of recent research aiming to answer, e.g., the following questions: What is the characteristic trait of non-Markovian dynamical processes that discriminates it from forgetful Markovian dynamics? What is the microscopic origin of memory in quantum dynamics, and how can it be controlled? Does the existence of memory effects open new avenues and enable accomplishments that cannot be achieved with Markovian processes? These questions are addressed in the publications forming the core of this Thesis with case studies of both prototypical and more exotic models of open quantum systems. In the first part of the Thesis several ways of characterizing and quantifying non-Markovian phenomena are introduced. Their differences are then explored using a driven, dissipative qubit model. The second part of the Thesis focuses on the dynamics of a purely dephasing qubit model, which is used to unveil the origin of non-Markovianity for a wide class of dynamical models. The emergence of memory is shown to be strongly intertwined with the structure of the spectral density function, as further demonstrated in a physical realization of the dephasing model using ultracold quantum gases. Finally, as an application of memory effects, it is shown that non- Markovian dynamical processes facilitate a novel phenomenon of timeinvariant discord, where the total quantum correlations of a system are frozen to their initial value. Non-Markovianity can also be exploited in the detection of phase transitions using quantum information probes, as shown using the physically interesting models of the Ising chain in a transverse field and a Coulomb chain undergoing a structural phase transition.

Open Journal Systems (OJS)

Jani Laatikaisen ja Lena Lönngrenin esitys ARTIVA-seminaarissa Helsingissä 5.2.2014.

Further analysis of open-respirometry systems: an a-compartmental mechanistic approach

A system is said to be "instantaneous" when for a given constant input an equilibrium output is obtained after a while. In the meantime, the output is changing from its initial value towards the equilibrium one. This is the transient period of the system and transients are important features of open-respirometry systems. During transients, one cannot compute the input amplitude directly from the output. The existing models (e.g., first or second order dynamics) cannot account for many of the features observed in real open-respirometry systems, such as time lag. Also, these models do not explain what should be expected when a system is speeded up or slowed down. The purpose of the present study was to develop a mechanistic approach to the dynamics of open-respirometry systems, employing basic thermodynamic concepts. It is demonstrated that all the main relevant features of the output dynamics are due to and can be adequately explained by a distribution of apparent velocities within the set of molecules travelling along the system. The importance of the rate at which the molecules leave the sensor is explored for the first time. The study approaches the difference in calibrating a system with a continuous input and with a "unit impulse": the former truly reveals the dynamics of the system while the latter represents the first derivative (in time) of the former and, thus, cannot adequately be employed in the apparent time-constant determination. Also, we demonstrate why the apparent order of the output changes with volume or flow.

Non-Markovian dynamics in quantum optical dephasing channels

Quantum computation and quantum communication are two of the most promising future applications of quantum mechanics. Since the information carriers used in both of them are essentially open quantum systems it is necessary to understand both quantum information theory and the theory of open quantum systems in order to investigate realistic implementations of such quantum technologies. In this thesis we consider the theory of open quantum systems from a quantum information theory perspective. The thesis is divided into two parts: review of the literature and original research. In the review of literature we present some important definitions and known results of open quantum systems and quantum information theory. We present the definitions of trace distance, two channel capacities and superdense coding capacity and give a reasoning why they can be used to represent the transmission efficiency of a communication channel. We also show derivations of some properties useful to link completely positive and trace preserving maps to trace distance and channel capacities. With the help of these properties we construct three measures of non-Markovianity and explain why they detect non-Markovianity. In the original research part of the thesis we study the non-Markovian dynamics in an experimentally realized quantum optical set-up. For general one-qubit dephasing channels we calculate the explicit forms of the two channel capacities and the superdense coding capacity. For the general two-qubit dephasing channel with uncorrelated local noises we calculate the explicit forms of the quantum capacity and the mutual information of a four-letter encoding. By using the dynamics in the experimental implementation as a set of specific dephasing channels we also calculate and compare the measures in one- and two-qubit dephasing channels and study the options of manipulating the environment to achieve revivals and higher transmission rates in superdense coding protocol with dephasing noise. Kvanttilaskenta ja kvanttikommunikaatio ovat kaksi puhutuimmista tulevaisuuden kvanttimekaniikan käytännön sovelluksista. Koska molemmissa näistä informaatio koodataan systeemeihin, jotka ovat oleellisesti avoimia kvanttisysteemejä, sekä kvantti-informaatioteorian, että avointen kvanttisysteemien tuntemus on välttämätöntä. Tässä tutkielmassa käsittelemme avointen kvanttisysteemien teoriaa kvantti-informaatioteorian näkökulmasta. Tutkielma on jaettu kahteen osioon: kirjallisuuskatsaukseen ja omaan tutkimukseen. Kirjallisuuskatsauksessa esitämme joitakin avointen kvanttisysteemien ja kvantti-informaatioteorian tärkeitä määritelmiä ja tunnettuja tuloksia. Esitämme jälkietäisyyden, kahden kanavakapasiteetin ja superdense coding -kapasiteetin määritelmät ja esitämme perustelun sille, miksi niitä voidaan käyttää kuvaamaan kommunikointikanavan lähetystehokkuutta. Näytämme myös todistukset kahdelle ominaisuudelle, jotka liittävät täyspositiiviset ja jäljensäilyttävät kuvaukset jälkietäisyyteen ja kanavakapasiteetteihin. Näiden ominaisuuksien avulla konstruoimme kolme epä-Markovisuusmittaa ja perustelemme, miksi ne havaitsevat dynamiikan epä-Markovisuutta. Oman tutkimuksen osiossa tutkimme epä-Markovista dynamiikkaa kokeellisesti toteutetussa kvanttioptisessa mittausjärjestelyssä. Yleisen yhden qubitin dephasing-kanavan tapauksessa laskemme molempien kanavakapasiteettien ja superdense coding -kapasiteetin eksplisiittiset muodot. Yleisen kahden qubitin korreloimattomien ympäristöjen dephasing-kanavan tapauksessa laskemme yhteisen informaation lausekkeen nelikirjaimisessa koodauksessa ja kvanttikanavakapasiteetin. Käyttämällä kokeellisen mittajärjestelyn dynamiikkoja esimerkki dephasing-kanavina me myös laskemme konstruoitujen epä-Markovisuusmittojen arvot ja vertailemme niitä yksi- ja kaksi-qubitti-dephasing-kanavissa. Lisäksi käyttäen kokeellisia esimerkkikanavia tutkimme, kuinka ympäristöä manipuloimalla superdense coding –skeemassa voidaan saada yhteinen informaatio ajoittain kasvamaan tai saavuttaa kaikenkaikkiaan korkeampi lähetystehokkuus.

Avances en Psicología Latinoamericana adopta la plataforma Open Journal Systems

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La edición electrónica y la gestión de trabajos académicos con Open Conference Systems (OCS).

Monográfico con el título: 'Nuevos desafíos en la formación del profesorado'

Second-order Møller-Plesset perturbation theory without basis set superposition error : II : open-shell systems

The basis set superposition error-free second-order MØller-Plesset perturbation theory of intermolecular interactions was studied. The difficulties of the counterpoise (CP) correction in open-shell systems were also discussed. The calculations were performed by a program which was used for testing the new variants of the theory. It was shown that the CP correction for the diabatic surfaces should be preferred to the adiabatic ones

Semiclassical evolution of dissipative Markovian systems

A semiclassical approximation for an evolving density operator, driven by a `closed` Hamiltonian operator and `open` Markovian Lindblad operators, is obtained. The theory is based on the chord function, i.e. the Fourier transform of the Wigner function. It reduces to an exact solution of the Lindblad master equation if the Hamiltonian operator is a quadratic function and the Lindblad operators are linear functions of positions and momenta. Initially, the semiclassical formulae for the case of Hermitian Lindblad operators are reinterpreted in terms of a (real) double phase space, generated by an appropriate classical double Hamiltonian. An extra `open` term is added to the double Hamiltonian by the non-Hermitian part of the Lindblad operators in the general case of dissipative Markovian evolution. The particular case of generic Hamiltonian operators, but linear dissipative Lindblad operators, is studied in more detail. A Liouville-type equivariance still holds for the corresponding classical evolution in double phase space, but the centre subspace, which supports the Wigner function, is compressed, along with expansion of its conjugate subspace, which supports the chord function. Decoherence narrows the relevant region of double phase space to the neighbourhood of a caustic for both the Wigner function and the chord function. This difficulty is avoided by a propagator in a mixed representation, so that a further `small-chord` approximation leads to a simple generalization of the quadratic theory for evolving Wigner functions.

QUASIDISTRIBUTIONS and COHERENT STATES FOR FINITE-DIMENSIONAL QUANTUM SYSTEMS

In recent years, an approach to discrete quantum phase spaces which comprehends all the main quasiprobability distributions known has been developed. It is the research that started with the pioneering work of Galetti and Piza, where the idea of operator bases constructed of discrete Fourier transforms of unitary displacement operators was first introduced. Subsequently, the discrete coherent states were introduced, and finally, the s-parametrized distributions, that include the Wigner, Husimi, and Glauber-Sudarshan distribution functions as particular cases. In the present work, we adapt its formulation to encompass some additional discrete symmetries, achieving an elegant yet physically sound formalism.

An introduction to numerical methods in low-dimensional quantum systems

This is an introductory course to the Lanczos Method and Density Matrix Renormalization Group Algorithms (DMRG), two among the leading numerical techniques applied in studies of low-dimensional quantum models. The idea of studying the models on clusters of a finite size in order to extract their physical properties is briefly discussed. The important role played by the model symmetries is also examined. Special emphasis is given to the DMRG.

Remarks on supersymmetry of quantum systems with position-dependent effective masses

We apply the supersymmetry approach to one-dimensional quantum systems with spatially dependent mass, by including their ordering ambiguities dependence. In this way we extend the results recently reported in the literature. Furthermore, we point out a connection between these systems and others with constant masses. This is done through convenient transformations in the coordinates and wave functions.

El Open Journal Systems en la Universidade de São Paulo: la experiencia de gestión del Portal de Revistas da USP

El objeto de este poster es presentar la experiencia de manejamiento de un portal de revistas científicas de acceso abierto, en una universidad pública y que integra los editores científicos, profesores y bibliotecarios. Iniciativas de esta naturaleza tienen importancia estratégica para la consolidación y el fortalecimiento del Movimiento de Acceso Abierto en los países en desarrollo, puesto que ofrecen la oportunidad de se vivir plenamente una cultura de acceso abierto en todas las etapas de certificación del conocimiento. La experiencia de la Universidade de São Paulo, se convierte en relevante, ya que promueve la integración de los diversos actores involucrados en la producción de revistas científicas. El Portal de Revistas da USP (http://www.revistas.usp.br), lanzado en 2008, es una iniciativa del Departamento Técnico do Sistema Integrado de Bibliotecas de USP que tiene el Programa de Apoio às Publicações Científicas Periódicas da USP. Esta iniciativa, basada en los principios del Movimiento de Acceso Abierto, tiene como objetivo promover la visibilidad y la accesibilidad de las revistas científicas publicadas oficialmente por la USP. Considerase que las revistas cumplen con un doble papel, como objeto y también vehículo de comunicación. Con esto las inversiones para calificación de las revistas incluyen recursos informáticos para garantizar la interoperabilidad entre distintos sistemas de información (bases de datos, catálogos, repositorios etc.), sistemas de gestión editorial en línea (para agilizar la tramitación de los manuscritos y la disminución de la publicación); la formación de los equipos (técnicos y bibliotecarios), atribuición de nomes DOI (digital object identifier), software de verificación de plágio. En 2012 se cambió el software de gestión del Portal para Open Journal Systems - OJS por lo cual se reunió por la primera vez, en um mismo dominio web las revistas científicas editadas en USP. De las más de 100 revistas publicadas en el Portal 29 están en DOAJ, 27 en SciELO Brasil, 20 en Scopus, 11 en JCR entre outros. En el Portal hay revistas con distintos perfiles, unas más institucionales y otras de calidad internacional. Algunas revistas más antíguas y consolidadas se utilizan de distintos sistemas de gestión de los manuscriptos y en el Portal es como un espejo para garantizar la presencia en la Universidad. Con tantas y tan distintas publicaciones el OJS se presenta como una promisora herramienta para la gestión del Portal de Revistas. El OJS surge como un sistema para la gestión individual de revistas científicos y con los avances de las tecnologías y principalmente del uso por la comunidad se conviertió en herramienta de gestión de Portal. Para una mejor gestión del Portal se presenta algunas recomendaciones, basadas en la experiencia, y que podrán mejorar el trabajo de gestión del conjunto de las revistas: en la pantalla de creación de revistas se deberá incluir todos los datos del registro oficial en ISSN, sin posibilidad de edición por los editores-gerentes; en el listado general de revistas se podría incluir una indicación de las revistas que están en línea y las que están aún en configuración; clara identificación de las revistas vigentes y no-vigentes, una vinculación mas clara de las revistas que cambiaran su título y que están vigentes; una tabla para selección de fuentes de indización; edición de contenidos ya publicados solamente por el administrador del sistema; gestión centralizada del DOI y de la preservación digital en LOCKSS y un painel con los datos estadísticos (total de revistas, ediciones, estatísticas Counter, autores etc). Además el fortalecimiento y creación de centros de desarrollo de OJS en las Universidades Latinoamericanas podría impulsionar el uso del sistema en su totalidad por los editores de la región.