The multi Davydov-Ansatz: Apoptosis of moving Gaussian basis functions with applications to open quantum system dynamics

We utilize the multi Davydov-Ansatz, an Ansatz of the bosonic many-body wave function in terms of moving Gaussian basis functions, to illuminate several aspects of open quantum system dynamics and quantum many-body theory. By two artifices alongside the time-dependent variational principle we extract from this Ansatz, commonly considered ill-behaved and not converging, a highly stable and converging method. Its extremely favourable scaling of the numerical effort with the number of degrees of freedom facilitates exploration of the zero and non-zero temperature physics of both system and environment of open quantum systems in the strong coupling regime, even in cases where the system is laser-driven. The discovery that strongly coupling a system to an environment may, apart from the introduction of dissipation and decoherence also serve as a resource for the system has fuelled the research on strongly correlated open quantum systems. Although the advent of ultra powerful data processors enables advanced methods to tackle these systems, their explicit treatment without further assumptions remains an eminently challenging task. With the multi Davydov-Ansatz we numerically exactly calculate the dynamics of various open systems coupled strongly to an environment. In particular, we illuminate diverse aspects of laser-driven molecular dynamics in dissipative environments. Based on a rigorous investigation of the time-dependent variational principle for moving Gaussian basis functions, we systematically develop a linear algebra formulation of the system of equations of motion for the Ansatz parameters. On its basis we precisely isolate the origin of the issues related to the multi Davydov-Ansatz and solve the long-standing convergence problem of the method by a regularization termed apoptosis. We show exemplary for the ohmic and sub-ohmic Spin-Boson model that apoptosis renders the multi Davydov-Ansatz a highly stable method with an outstanding speed of convergence, suited to numerically exactly reproduce the dynamics of the model at surprisingly humble numerical effort even for strong coupling strengths. Furthermore, since they are not suited to efficiently reproduce Fock number states in many-body systems, we shed some light on possible extensions of the Gaussian basis functions in the multi Davydov-Ansatz in terms of displaced number states and in terms of squeezed states. In particular we argue that due to the emergence of an inappropriate number of equations of motion, there is no straightforward generalization of the multi Davydov-Ansatz by displaced number states. For the purpose of further optimization of the multi Davydov-Ansatz, we investigate in detail the impact on the numerical effort of different representations of an open system's environment. In particular, different frequency discretizations for given continuous spectral densities are examined with respect to the speed of convergence of the system dynamics to the continuum limit. We utilize a Windowed Fourier Transform as an a priori measure for the quality of the discretized representation of bath correlations. Furthermore, efficient representations of the environment for shifted initial conditions in general and non-zero temperature in particular are found systematically. As an alternative representation of an environment of mutually uncoupled harmonic oscillators, we investigate an environment represented in terms of a linear chain of effective modes. In this context we detail how to consistently reformulate the effective mode representation in second quantization, removing inadvertent double excitations introduced by the original formulation. We show that the alternative representation is beneficial in cases where the bath spectral density is highly structured, while for the ohmic and sub-ohmic spectral density of the Spin-Boson model it is of no advantage. Once we have identified the numerically most efficient representation of the environment, we apply the multi Davydov-Ansatz in order to illuminate several aspects of open quantum system dynamics whose investigation has previously remained occlusive. In particular, the access to the exact dynamics of the environmental degrees of freedom allows to shed light on the question for the channels through which energy can be interchanged between system and environment in the considered systems. Firstly, in a system-bath setup we survey the vibrational relaxation dynamics of deuterium dimers at a silicon surface. The investigation of the relaxation dynamics requires the quantum mechanical treatment of multiple system levels, which in turn prohibits a treatment of the environmental dynamics on a perturbative level. We demonstrate that the multi Davydov-Ansatz allows for a numerically exact calculation of the system dynamics with multiple system levels and a huge number of surface vibrations explicitly taken into account. Furthermore, due to the structure of the spectral density of the environment, the effective mode representation allows for this system to dramatically reduce the numerical effort. Secondly we shall investigate in detail the relaxation dynamics of an exciton in a one-dimensional molecular crystal. Since the strong coupling regime renders highly complicated the phonon dynamics, apoptosis turns out to be inevitably required in order to reliably converge the system dynamics. We show that the multi Davydov-Ansatz equipped with apoptosis allows for an extremely efficient calculation of the exciton and phonon dynamics, for both large hopping integrals and large molecular crystals. Furthermore we illuminate diverse aspects of laser-driven molecular dynamics in a dissipative environment. By restriction to two electronic energy levels we determine the channels through which system and environment interchange energy in the vicinity of an avoided crossing in a dissipative Landau-Zener model. In particular, we reveal that the final transition probability can be tuned by coupling to the environment for both diagonal and off-diagonal coupling. By appropriately adjusting the initial excitation of the system, the final transition probability is shown to converge to a fixed value for increasing coupling. Finally, we investigate in detail laser-induced population transfer by rapid adiabatic passage in a dissipative environment. By application of the multi Davydov-Ansatz it is shown for zero as well as for non-zero temperature that strongly coupling the system to an environment can serve as a resource for the population inversion. In particular, we shall examine how the coupling to the environment compensates for the decay channels in the system even if the laser pulse is only weakly chirped.:1. Introduction 2. Prerequisites 2.1. Harmonic oscillator basics 2.2. Canonical coherent states of the harmonic oscillator 2.3. Overcompleteness of CS and the Segal-Bargmann transformation 2.4. Density operator representation in terms of CS 2.5. Ideal squeezed states 2.6. Displaced number states 2.7. On the variational principle 3. Real time propagation with CS 3.1. Variational principle with CS 3.1.1. Gauge freedom in the vMCG Ansatz 3.1.2. Equations of motion for the vMCG Ansatz 3.2. Standard form of the linear system 3.3. Regularity of the coefficient matrix 3.3.1. Regularization in the case of vanishing coefficients 3.3.2. Apoptosis of CS 3.4. The route to Semiclassics 3.5. Variational principle with DNS and squeezed states 3.6. The multi Davydov-Ansatz 3.7. The multi Davydov-Ansatz at non-zero temperature 4. Open Quantum Systems 4.1. System-Bath Hamiltonian 4.2. The road to classical dissipation 4.3. The impact of apoptosis and regularization of the -matrix 4.3.1. Multi Davydov-Ansatz for the Quantum Rabi model 4.3.2. Multi Davydov-Ansatz and the Spin-Boson model 4.3.2.1. Spin-Boson model in the ohmic regime 4.3.2.2. Spin-Boson model in the sub-ohmic regime 4.4. The Windowed Fourier Transform 4.5. The sub-ohmic case and the problem of oversampling 4.5.1. On the polarized initial condition 4.5.2. On the treatment of non-zero temperature 4.6. The Effective Mode Representation 5. Applications 5.1. Vibrational relaxation dynamics at surfaces 5.2. Relaxation dynamics of the Holstein polaron 5.3. The dissipative Landau Zener Model 5.3.1. Coupling to a single environmental mode 5.3.2. Coupling to multiple environmental modes 5.4. Rapid Adiabatic Passage with a dissipative environment 6. Summary And Outlook List of abbreviations Appendix A. Closure relation of displaced number states B. Hamilton equations: classical vs. CCS for a Morse oscillator C. Equations of motion for the multi Davydov-Ansatz C.1. D2-Ansatz C.2. D1-Ansatz D. Details of implementation E. Calculation of the BCF F. Calculation of the polarized initial condition for = 0 Bibliography List of publication

Human Error

HUMAN ERROR is a science-fiction novel set in a future in which, to save the planet from environmental degradation, humans have been eradicated and replaced by “Syntho-sapiens.” These synthetic humans are engineered in labs to be not only physically superior to their evolutionary predecessors, but also equal in every way to each other. However, from the moment Cal-12 opens his eyes, he is different. He not only has heterochromia, a mutation of the eye color, but also a strong need for connection that his emotionless peers seem to lack. This need intensifies when he discovers a human woman named Thalia, whose people live in hiding, awaiting their opportunity to reclaim the world that was taken from them. Through Cal and Thalia’s attempts to uncover both the dark secrets of his people and the lost history of hers, the novel explores the themes of power and personhood

A holistic evaluation concept for long-term structural health monitoring

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Koordiniert, komplementär und kohärent agieren in fragilen Staaten : NRO zwischen Peacebuilding und Statebuilding

Die lokale Zivilgesellschaft ist ein einzigartiger Spiegel der lokalen Bevölkerung in fragilen Situationen. Internationale NRO tragen durch ihren besonderen Zugang zur lokalen Zivilgesellschaft zum Prozess der Verbindung von Staat und Zivilgesellschaft in fragilen Situationen bei. Die Strategien der internationalen Gemeinschaft für Peacebuilding und Statebuilding erfordern daher eine koordinierte, komplementäre und kohärente (engl. „3C“) Vorgangsweise, die dieses Wissen miteinbezieht. Im Wiener 3C Appell werden die spezifischen Herausforderungen der Zusammenarbeit zwischen staatlichen und nicht-staatlichen Akteuren in fragilen Situationen aufgezeigt. Der 3C-Ansatz ist damit ein Initialschritt für bessere Wirksamkeit von Hilfe und mehr Politikkohärenz

Blendwave: a sound design tool for audiovisual authors

Comunicação publicada nas atas da 8th International Conference on Digital Arts – ARTECH 2017, realizada em Macau de 6-8 de setembro de 2017This paper presents Blendwave, an online sound design application inspired by the ease of use of samplers and the “sfxr family” of sound creation software. Starting from the hypothesis where current software tools have made the creation of sound inaccessible for non-specialist users, we analyze the problems with the musical bias ingrained in DAWs and Patchers, the standard sound design tools. After identifying the Web Audio API as an appropriate technological backbone for an accessible tool, recent online applications are surveyed, followed by popular software used in a rapid prototyping scenario. By acknowledging the merits and shortcomings of these sound creators, we present Blendwave, the byproduct of a practice-based research and development effort towards democratizing sound design as a rapid prototyping activity for audiovisual authors. The idea of a sampler architecture is proposed as a way to augment the sound possibilities of sfxr-based tools while keeping their simplicity. Finally, we report on the current state of development and outline the next steps.info:eu-repo/semantics/publishedVersio

Hypertonic solutions for pediatric patients

OBJECTIVE: To describe the current knowledge and indications for use of hypertonic saline solutions in pediatrics patients. SOURCE OF DATA: Medline recent review articles and personal files. SUMMARY OF THE FINDINGS: Basic physiologic principles were reviewed concerning the distribution of fluid inside the intravascular, interstitial and intracellular compartments. We also reviewed the findings concerning the mechanisms responsible for the rapid onset of cardiocirculatory effects and the additional effect of the colloid component. Finally, we present the medical terms used in the context of small-volume resuscitation, the indications for clinical use, the evidence from clinical research (hemorrhagic shock, preclinical trauma care, septic shock, and head trauma), and the disadvantages and potential adverse effects of small-volume resuscitation. CONCLUSIONS: Resuscitation by means of hypertonic saline solutions associated or not with colloid solutions is one of the most innovative concepts for primary resuscitation from trauma and shock established in the past decade. Currently, the spectrum of potential indications involves not only prehospital trauma care, but also perioperative and intensive care therapy. However, additional randomized double-blind studies are required with both children and adult patients to confirm the advantages of the method in terms of survival.OBJETIVO: Descrever o conhecimento atual e as possíveis aplicações de solução hipertônica em pediatria. FONTES DOS DADOS: As referências foram obtidas através do banco de dados Medline, artigos de revisão recentes e através do arquivo pessoal. SÍNTESE DOS DADOS: Inicialmente, fizemos uma revisão dos princípios fisiológicos básicos dos fluidos com a distribuição destes nos três compartimentos: intravascular, intersticial e intracelular. Revisamos os achados a respeito dos mecanismos responsáveis pela ação rápida cardiocirculatória, o efeito adicional do componente colóide, descrevemos os termos médicos em relação à ressuscitação de pequenos volumes, as indicações para a sua aplicação, as evidências das pesquisas clínicas (choque hemorrágico, etapa pré-hospitalar do trauma, choque séptico, trauma de crânio), as desvantagens e os efeitos potenciais adversos da ressuscitação com pequenos volumes. CONCLUSÕES: A ressuscitação através de solução salina hipertônica, associada ou não a soluções colóides, envolve um dos conceitos mais inovadores da última década para a ressuscitação primária no paciente com trauma e choque. Atualmente, o espectro de indicações potenciais envolve não apenas a etapa pré-hospitalar no trauma, mas também o período perioperatório e a terapêutica na unidade de cuidados intensivos. Entretanto, tanto para o paciente pediátrico quanto para o paciente adulto, existe a necessidade de pesquisas clínicas randomizadas duplo-cegas adicionais para confirmar as vantagens promissoras em termos de sobrevida.Universidade Federal de São Paulo (UNIFESP) Escola Paulista de Medicina Departamento de PediatriaHospital São PauloHospital Santa CatarinaBeneficência Portuguesa de São PauloUNIFESP, EPM, Depto. de PediatriaHospital São PauloSciEL