The central subject of this thesis is the theoretical description of ultrafast dynamical processes in molecular systems of chemical interest and their control by laser pulses. This work encompasses different cutting-edge methods in quantum chemistry, quantum dynamics and for the rigorous description of the interaction of light and matter at the molecular level. It provides a general quantum mechanical framework for the description of chemical processes guided by laser pulses, in particular near conical intersections, i.e. geometries where the nuclear and electronic motions couple and the molecule undergoes non-adiabatic (or non-Born-Oppenheimer) dynamics. In close collaboration with experimentalists, the author succeeds in making a decisive step to link and to apply quantum physics to chemistry by transferring state of the art techniques and concepts developed in physics to chemistry, such as "light dressed atoms and molecules" and "adiabatic Floquet theory". He applies these techniques in three prototypic model systems (aniline, pyrazine and NHD2) using high-level electronic structure calculations. Readers will enjoy the comprehensive and accessible introduction to the topic and methodology, as well as the clear structure of the thesis.

This book explores critical phenomena in highly correlated quantum matter. Specifically, quantum antiferromagnets, magnon Bose condensates, and systems exhibiting deconfined quantum criticality are considered. The book's main achievement is the incorporation of both quantum and statistical fluctuations into a quantum field theoretic treatment of critical phenomena. This yields significant new insights into an abundance of problems, positions them in a much more general context, and offers an unprecedented power to analyze experimental and numerical data and predict new effects. Further, a major result and overarching theme is the exploration of the scale-dependent coupling constant - an effect known in quantum chromodynamics as "asymptotic freedom." The book provides the first analysis to reveal asymptotic freedom in the quantum magnetism context, and discusses many other manifestations. Another significant result concerns the development of a consistent theoretical framework that resolves a long-standing inconsistency in the theory of Bose condensation. Using the approach developed here, two new universality classes are subsequently identified. A final major result addresses the exotic scenario of deconfined quantum criticality. Within this framework, the book predicts the Bose condensation of particles with half-integer spin - the first- ever made in this regard. In closing, a smoking gun criterion to test for this exotic condensate is established.

Dealing with astrophysics derived from the radiation emitted by radioactive atomic nuclei, this book describes the different methods used to measure cosmic radio-isotopes. It demonstrates how this astronomical window has contributed to the understanding of the sources and the chemical evolution of cosmic gas. Reference materials and explanations are included for students in advanced stages of their education. Nuclear reactions in different sites across the universe lead to the production of stable and unstable nuclei. Their abundances can be measured through different methods, allowing to study the various nuclear processes taking place in cosmic environments. Nucleosynthesis is the cosmic formation of new nuclear species, starting from hydrogen and helium resulting from the big bang origins. Stars create and eject synthesized nuclei during their evolution and explosions. Incorporation of the new interstellar composition into next-generation stars characterises the compositional (chemical) evolution of cosmic gas in and between galaxies. Radioactive species have unique messages about how this occurs. Since the first Edition of this book published in 2011 with the title Astronomy with Radioactivities, long-awaited new direct observations of supernova radioactivity have been made and are now addressed in two updated chapters dealing with supernovae. In this second Edition, the advances of recent years beyond one-dimensional treatments of stellar structure and stellar explosions towards 3-dimensional models have been included, and led to significant re-writings in Chapters 3-5. The sections on the Solar System origins have been re-written to account for new insights into the evolution of giant molecular clouds. The chapter on diffuse radioactivities now also includes material measurements of radioactivities in the current solar system, and their interpretations for recent nucleosynthesis activity in our Galaxy. Significant new results on gamma-rays from positron annihilations have been accounted for in that chapter, and led to new links with nucleosynthesis sources as well as interstellar transport processes. A new chapter now provides a description of interstellar processes often called 'chemical evolution', thus linking the creation of new nuclei to their abundance observations in gas and stars. The experimental / instrumental chapters on nuclear reaction measurements, on gamma-ray telescopes, and pre-solar grain laboratories have been updated. Moreover, new windows of astronomy that have been opened up in recent years have been included in the discussions of the multi-messenger approach that broadens the basis for astrophysical insights.

This thesis offers a unique guide to the development and application of ultrasensitive optical microscopy based on light scattering. Divided into eight chapters, it covers an impressive range of scientific fields, from basic optical physics to molecular biology and synthetic organic chemistry. Especially the detailed information provided on how to design, build and implement an interferometric scattering microscope, as well as the descriptions of all instrumentation, hardware interfacing and image processing necessary to achieve the highest levels of performance, will be of interest to researchers now entering the field.

Combining incisive experiments with the latest theoretical advances, this book presents an extensive study of transfer-triggered breakup, the dominant process by which breakup occurs in reactions involving light, weakly bound nuclei. It demonstrates not only that lifetimes of resonant states shorter than a zeptosecond are crucially important for these reactions to suppress complete fusion, but also that such short lifetimes are experimentally accessible. By making quantitative predictions of the effect of breakup from short-lived resonant states on incomplete fusion at above-barrier energies, the book suggests that the extent to which near-target breakup can suppress complete fusion is much more limited than previously thought. With an impressive amount of complex data and state-of-the-art models, which were developed, modified, and tested over course of the Ph.D., it examines all aspects of nuclear reactions - nuclear models, modern detectors and spectrometers, as well as data analysis, and offers a detailed discussion of experimental results and technical developments like new radioactive beams. This excellent and beautifully written book presents outstanding quality experimental work that establishes a cornerstone in our understanding of the reaction dynamics of light weakly bound nuclei at energies around the Coulomb barrier.

This book provides the first complete and up-to-date summary of the state of the art in HAXPES and motivates readers to harness its powerful capabilities in their own research. The chapters are written by experts. They include historical work, modern instrumentation, theory and applications. This book spans from physics to chemistry and materials science and engineering. In consideration of the rapid development of the technique, several chapters include highlights illustrating future opportunities as well.

This book deals with the reflection of electromagnetic and particle waves by interfaces. The interfaces can be sharp or diffuse. The topics of the book contain absorption, inverse problems, anisotropy, pulses and finite beams, rough surfaces, matrix methods, numerical methods, reflection of particle waves and neutron reflection. Exact general results are presented, followed by long wave reflection, variational theory, reflection amplitude equations of the Riccati type, and reflection of short waves. The Second Edition of the Theory of Reflection is an updated and much enlarged revision of the 1987 monograph. There are new chapters on periodically stratified media, ellipsometry, chiral media, neutron reflection and reflection of acoustic waves. The chapter on anisotropy is much extended, with a complete treatment of the reflection and transmission properties of arbitrarily oriented uniaxial crystals. The book gives a systematic and unified treatment reflection and transmission of electromagnetic and particle waves at interfaces. It is intended for physicists, chemists, applied mathematicians and engineers, and is written in a simple direct style, with all necessary mathematics explained in the text.

Quantum mechanics entails effects like superpositions and entanglement, which have no classical counterparts. From a technological standpoint these counterintuitive quantum aspects can be viewed as an unexploited resource that can be harnessed to support various tasks, e.g. in the domains of computation, communication, and metrology. In many applications, however, the potential of nonclassical states cannot practically be exploited due to detection inefficiencies. The authors address this limitation by experimentally realizing a novel detection scheme in which entangling interactions are time reversed. In this way, nonclassical many-particle states are disentangled, allowing them to be detected in a robust and technically feasible manner. In the context of quantum metrology, these nonlinear readout techniques extend the class of entangled probe states that can be leveraged for sensing applications without being limited by finite detector resolution. The authors present an active atom interferometer, where both the entangled state preparation and disentangling readout involve parametric amplification. This "SU(1,1)" interferometer is implemented with the help of spinor Bose-Einstein condensates, where amplification is implemented by atomic collisions leading to spin exchange.

This is the third edition of a well-known classic on ultrafast nonlinear and linear processes responsible for supercontinuum generation. Part I of the book reviews the progress achieved in experimental and theoretical understanding of the field, and goes over the applications developed since the discovery of the supercontinuum effect. The second part of the book covers recent research activity on supercontinuum phenomena and advances achieved since the publication of the previous edition. The new chapters specifically focus on: normal dispersion photonic band gap fibers; coherence in the supercontinuum; supercontinuum in the UV, NIR, and IR; and supercontinuum in XUV and X-rays for attosecond pulses. The Supercontinuum Laser Source is a definitive work by one of the discoverers of the white light effect. It is indispensable reading for any researcher or student working in the field of ultrafast laser physics.

This book is a wide-ranging survey of the physics of out-of-equilibrium systems of correlated electrons, ranging from the theoretical, to the numerical, computational and experimental aspects. It starts from basic approaches to non-equilibrium physics, such as the mean-field approach, then proceeds to more advanced methods, such as dynamical mean-field theory and master equation approaches. Lastly, it offers a comprehensive overview of the latest advances in experimental investigations of complex quantum materials by means of ultrafast spectroscopy.

Shortlisted for the 2020 AAAS/Subaru SB&F Prize for Excellence in Science Books Creating an element is no easy feat. It's the equivalent of firing six trillion bullets a second at a needle in a haystack, hoping the bullet and needle somehow fuse together, then catching it in less than a thousandth of a second - after which it's gone forever. Welcome to the world of the superheavy elements: a realm where scientists use giant machines and spend years trying to make a single atom of mysterious artefacts that have never existed on Earth. From the first elements past uranium and their role in the atomic bomb to the latest discoveries stretching our chemical world, Superheavy will reveal the hidden stories lurking at the edges of the periodic table. Why did the US Air Force fly planes into mushroom clouds? Who won the transfermium wars? How did an earthquake help give Japan its first element? And what happened when Superman almost spilled nuclear secrets? In a globe-trotting adventure that stretches from the United States to Russia, Sweden to Australia, Superheavy is your guide to the amazing science filling in the missing pieces of the periodic table. By the end you'll not only marvel at how nuclear science has changed our lives - you'll wonder where it's going to take us in the future.

This concise book provides the necessary background to allow interested readers to launch original research projects on the subject matter. Currently, this material is not available from one single source, and is either spread out over numerous journal publications, or covered in long and technical monographs. At the core of this book lies the sum rule approach to obtain analytic results in Quantum Chromodynamics (QCD), the current theory of strong interactions among quarks and gluons. This method fully complements Lattice QCD, the corresponding computational approach based on discretizing QCD on a space-time lattice. Applications include standard determinations of hadronic particle properties with extensions to finite temperature and density, and possibly involving the presence of extreme magnetic fields. The latter cases include stellar objects (e.g. neutron stars and magnetars) as well as high-energy proton-proton and heavy-ion collisions. Further topics concern the determination of the fundamental parameters of QCD, e.g. quark masses and the quark-gluon couplings, the hadronic contribution to the anomalous magnetic moment of the muon, and electromagnetic coupling at the the W-boson mass scale.

This expanded and updated well-established textbook contains an advanced presentationof quantum mechanics adapted to the requirements of modern atomic physics. Itincludes topics of current interest such as semiclassical theory, chaos, atom optics andBose-Einstein condensation in atomic gases. In order to facilitate the consolidationof the material covered, various problems are included, together with completesolutions. The emphasis on theory enables the reader to appreciate the fundamentalassumptions underlying standard theoretical constructs and to embark on independentresearch projects. The fourth edition of Theoretical Atomic Physics contains anupdated treatment of the sections involving scattering theory and near-thresholdphenomena manifest in the behaviour of cold atoms (and molecules). Special attentionis given to the quantization of weakly bound states just below the continuum thresholdand to low-energy scattering and quantum reflection just above. Particular emphasisis laid on the fundamental differences between long-ranged Coulombic potentialsand shorter-ranged potentials falling off faster than 1/r2 at large distances r. The newsections on tunable near-threshold Feshbach resonances and on scattering in two spatialdimensions also address problems relevant for current and future research in the fieldof cold (and ultra-cold) atoms. Graduate students and researchers will find this book avaluable resource and comprehensive reference alike.

This book introduces readers to MesoBioNano (MBN) Explorer - a multi-purpose software package designed to model molecular systems at various levels of size and complexity. In addition, it presents a specially designed multi-task toolkit and interface - the MBN Studio - which enables the set-up of input files, controls the simulations, and supports the subsequent visualization and analysis of the results obtained. The book subsequently provides a systematic description of the capabilities of this universal and powerful software package within the framework of computational molecular science, and guides readers through its applications in numerous areas of research in bio- and chemical physics and material science - ranging from the nano- to the mesoscale. MBN Explorer is particularly suited to computing the system's energy, to optimizing molecular structure, and to exploring the various facets of molecular and random walk dynamics. The package allows the use of a broad variety of interatomic potentials and can, e.g., be configured to select any subset of a molecular system as rigid fragments, whenever a significant reduction in the number of dynamical degrees of freedom is required for computational practicalities. MBN Studio enables users to easily construct initial geometries for the molecular, liquid, crystalline, gaseous and hybrid systems that serve as input for the subsequent simulations of their physical and chemical properties using MBN Explorer. Despite its universality, the computational efficiency of MBN Explorer is comparable to that of other, more specialized software packages, making it a viable multi-purpose alternative for the computational modeling of complex molecular systems. A number of detailed case studies presented in the second part of this book demonstrate MBN Explorer's usefulness and efficiency in the fields of atomic clusters and nanoparticles, biomolecular systems, nanostructured materials, composite materials and hybrid systems, crystals, liquids and gases, as well as in providing modeling support for novel and emerging technologies. Last but not least, with the release of the 3rd edition of MBN Explorer in spring 2017, a free trial version will be available from the MBN Research Center website (mbnresearch.com).

Quantum physics may appear complicated, especially if one forgets the "big picture" and gets lost in the details. However, it can become clearer and less tangled if one applies a few fundamental concepts so that simplified approaches can emerge and estimated orders of magnitude become clear. Povh and Rosina's Scattering and Structures presents the properties of quantum systems (elementary particles, nucleons, atoms, molecules, quantum gases, quantum liquids, stars, and early universe) with the help of elementary concepts and analogies between these seemingly different systems. In this new edition, sections on quantum gases and an up to date overview of elementary particles have been added.

This book mainly focuses on the study of photon + 3 jets final state in Proton-Proton Collisions at s = 7TeV, searching for patterns of two (or more) distinct hard scatterings in the same collision, i.e the so-called Double Parton Scattering (DPS). A new method by using Monte Carlo generators was performed and provides higher order corrections to the description of the Single Parton Scattering (SPS) background. Further it is investigated whether additional contributions from DPS can improve the agreement between the measured data and the Monte Carlo predictions. The current theoretical uncertainties related to the SPS background are found to be larger than expectation. At the same time a rich set of DPS-sensitive measurements is reported for possible further interpretation.

This thesis focuses on the study and characterization of entanglement and nonlocal correlations constrained under symmetries. It includes original results as well as detailed methods and explanations for a number of different threads of research: positive partial transpose (PPT) entanglement in the symmetric states; a novel, experimentally friendly method to detect nonlocal correlations in many-body systems; the non-equivalence between entanglement and nonlocality; and elemental monogamies of correlations. Entanglement and nonlocal correlations constitute two fundamental resources for quantum information processing, as they allow novel tasks that are otherwise impossible in a classical scenario. However, their elusive characterization is still a central problem in quantum information theory. The main reason why such a fundamental issue remains a formidable challenge lies in the exponential growth in complexity of the Hilbert space as well as the space of multipartite correlations. Physical systems of interest, on the other hand, display symmetries that can be exploited to reduce this complexity, opening the possibility that some of these questions become tractable for such systems.

The advent of laser-based sources of ultrafast infrared pulses has extended the study of very fast molecular dynamics to the observation of processes manifested through their effects on the vibrations of molecules. In addition, non-linear infrared spectroscopic techniques make it possible to examine intra- and intermolecular interactions and how such interactions evolve on very fast time scales, but also in some instances on very slow time scales. Ultrafast Infrared Vibrational Spectroscopy is an advanced overview of the field of ultrafast infrared vibrational spectroscopy based on the scientific research of the leading figures in the field. The book discusses experimental and theoretical topics reflecting the latest accomplishments and understanding of ultrafast infrared vibrational spectroscopy. Each chapter provides background, details of methods, and explication of a topic of current research interest. Experimental and theoretical studies cover topics as diverse as the dynamics of water and the dynamics and structure of biological molecules. Methods covered include vibrational echo chemical exchange spectroscopy, IR-Raman spectroscopy, time resolved sum frequency generation, and 2D IR spectroscopy. Edited by a recognized leader in the field and with contributions from top researchers, including experimentalists and theoreticians, this book presents the latest research methods and results. It will serve as an excellent resource for those new to the field, experts in the field, and individuals who want to gain an understanding of particular methods and research topics.

Proceedings of the International Conference on Exotic Atoms and Related Topics (EXA 2014) held in Vienna, Austria, September 14-19, 2014. Now the research in exotic atoms has a remarkable history of more than 50 years. Enormous success in the understanding of fundamental interactions and symmetries resulted from the research on these tiny objects at the femtoscale. This volume contains research papers on recent achievements and future opportunities of this highly interdisciplinary field of atomic, nuclear, and particle physics. The Proceedings are structured according to the conference session topics: Kaon-Nucleus and Kaon-Nucleon Interactions, Antihydrogen and Fundamental Symmetries, Hadronphysics with Antiprotons, Future Facilities and Instrumentation, Low energy QCD. Reprint from Hyperfine Interactions vol. 233 nos. 1-3 and vol. 234 nos. 1-3.

This book displays the physics and design of high-power molecular lasers. The lasers described are self-controlled volume-discharge lasers. The book explains self-sustained discharge lasers, self-initiated discharge lasers and technical approaches to laser design. Important topics discussed are laser efficiency, laser beam quality and electric field homogeneity. The book contains many new innovative applications.

Zeitschrift fur Kristallographie. Supplement Volume 38 presents the complete Abstracts of all contributions to the 26th Annual Conference of the German Crystallographic Society in Essen (Germany) 2018: - Plenary Talks - Microsymposia - Poster Session Supplement Series of Zeitschrift fur Kristallographie publishes Abstracts of international conferences on the interdisciplinary field of crystallography.

The application of mathematical models to molecules has now reached maturity. Scientists as diverse as astrophysicists, biologists, chemists, materials scientists and zoologists can reach for their PC, Mac or laptop to model molecular phenomena of unbelievable complexity.
Following the highly successful first edition of Modelling Molecular Structures, this newly updated edition is your guide through the myriad of applications for molecular modelling. This easy-to-read, highly illustrated text covers all areas of molecular modelling, including molecular dynamics, quantum mechanics, and the Hartree-Fock self-consistent field model, providing background information and critically discussing the latest techniques in the field.
Covering developments in the field since the first publication, this title also includes updated text and new material on:

• Molecular Dynamics

• Dealing with the Solvent

This book features the latest advances and future trends in water science and technology. It also discusses the scientific popularization and quantitative resolution of a variety of mysterious properties of water and ice from the perspective of hydrogen-bond cooperativity in response to stimuli such as chemical contamination, electrification, magnetification, mechanical compression, molecular undercoordination, and thermal excitation. Anomalies include the floating of ice, the Hofmeister effect in solutions, regelation of ice, slipperiness of ice, water's tough skin, the Mpemba paradox, and the floating bridge. It also addresses the superfluidity of microchannels, hydrogen bond potentials, nanodroplet and bubble thermodynamics, quasisolidity and supersolidity, controlling superhydrophobicity-superhydrophilicity transition, and high-pressure ice formation. The target audience for this book includes students, senior scholars, engineers and practitioners in the area of physical chemistry, biology, as well as aqueous and colloid solutions.

This book consolidates and brings up to date the variational theory and methods currently used in many branches of theoretical physics and chemistry. The text surveys essential ideas and methods, concentrating on theory as used in applications rather than on fine points of rigorous mathematics. Essential concepts are developed in a common notation and from a uniform critical point of view. Examples of important applications are reviewed in sufficient detail to provide the reader with a critical understanding of context and methodology.