Molecular Materials with Specific Interactions: Modeling and Design has a very interdisciplinary character and is intended to provide basic information as well as the details of theory and examples of its application to experimentalists and theoreticians interested in modeling molecular properties and putting into practice rational design of new materials. One of the first requirements to initiate the molecular modeling of molecular materials is an accurate and realistic description of the electronic structure, intermolecular interactions and chemical reactions at microscopic and macroscopic scale. Therefore the first four chapters contain an extensive introduction into the latest theories of intermolecular interactions, functional density techniques, microscopic and mezoscopic modeling techniques as well as first-principle molecular dynamics.

A collection of infrared and Raman spectra of 500 natural and synthetic polymers of industrial importance is presented in this book. A large variety of compounds are included, starting with linear polyolefins and finishing with complex biopolymers and related compounds. The spectra were registered using Infrared Fourier Transform Spectrometers in the laboratory of the All-Russia Institute of Forensic Sciences. The IR and Raman spectra are presented together on the same sheet. The accompanying data include general and structure formulae, CAS register numbers, and sample preparation conditions.

Features of this book:

Continues the long tradition of publishing specific and standard data of new chemical compounds.

For low-molecular weight substances, complementary IR and Raman spectra are featured on the same sample and printed on the same page. This "fingerprint" data allows the substance of the sample to be identified without doubt.

An important feature of this unique collection of data is the increase in the identification precision of unknown substances.

Peak tables are available in digital (ASCII) format, on a diskette delivered with the book. This allows the user to search for unknowns.

All the spectra in the collection are base-line corrected.

This book will be of interest to scientists involved in the synthesis of new polymeric materials, polymer identification, and quality control. Libraries of scientific institutes, research centers, and universities involved in vibrational spectroscopy will also find this collection invaluable."

a ~Soft Matter Under Exogenic Impactsa (TM) is fairly unique in supplying a comprehensive presentation of high pressures, negative pressures, random constraints and strong electric field exogenic (external) impacts on various soft matter systems. These are: (i) critical liquids, (ii) glass formers, such as supercooled liquids including water, polymers and resins, (iii) liquid crystals and (iv) bio-liquids. It is, because of this, an excellent guide in this novel and still puzzling research area. Besides new results, the identification of new types of physical behavior, new technological materials, ultimate verification of condensed and soft matter physics models, new applications in geophysics, biophysics, biotechnology, are all discussed in this book.

a ~Soft Matter Under Exogenic Impactsa (TM) comes as a result from the ARW NATO brainstorming discussion in Odessa, Ukraine (8-12 Oct. 2005). It contains 31 papers prepared by key specialists in the field, which include amongst others: H. E. Stanley (USA), K. L. Ngai (USA), C. M. Roland (USA), M. A. Anisimov (USA), G. P. Johari (Canada), M.-C. Bellisent (France), A. R. Imre (Hungary), G. Floudas (Greece), Th. Kraska (Germany), A. Chalyi (Ukraine), E. E. Ustjuzhanin (Russia), J. L. Tamarit (Spain) and S. Kralj (Slovenia).

This monograph represents a critical survey of the outstanding capabilities of X-ray
diffuse scattering for the structural characterization of mesoscopic material systems. The mesoscopic regime comprises length scales ranging from a few up to some hundreds of nanometers. It is of particular relevance at semiconductor layer systems where, for example, interface roughness or low-dimensional objects such as quantum dots and quantum wires have attracted much interest. An extensive overview of the present state-of-the-art theory of X-ray diffuse scattering at mesoscopic structures is given followed by a valuable description of various experimental techniques. Selected up-to-date examples are discussed. The aim of the present book is to combine aspects of self-organized growth of mesoscopic structures with corresponding X-ray diffuse scattering experiments.

Professor Philip G. Burke, CBE, FRS formally retired on 30 September 1998. To recognise this occasion some of his colleagues, friends, and former students decided to hold a conference in his honour and to present this volume as a dedication to his enormous contribution to the theoretical atomic physics community. The conference and this volume of the invited talks reflect very closely those areas with which he has mostly been asso- ated and his influence internationally on the development of atomic physics coupled with a parallel growth in supercomputing. Phil's wide range of interests include electron-atom/molecule collisions, scattering of photons and electrons by molecules adsorbed on surfaces, collisions involving oriented and chiral molecules, and the development of non-perturbative methods for studying multiphoton processes. His devel- ment of the theory associated with such processes has enabled important advances to be made in our understanding of the associated physics, the interpretation of experimental data, has been invaluable in application to fusion processes, and the study of astrophysical plasmas (observed by both ground- and space-based telescopes). We therefore offer this volume as our token of affection and respect to Philip G. Burke, with the hope that it may also fill a gap in the literature in these important fields.

The four articles of the present volume address very different topics in nuclear physics and, indeed, encompass experiments at very different kinds of exp- imental facilities. The range of interest of the articles extends from the nature of the substructure of the nucleon and the deuteron to the general properties of the nucleus, including its phase transitions and its rich and unexpected quantal properties. The first article by Fillipone and Ji reviews the present experimental and theoretical situation pertaining to our knowledge of the origin of the spin of the nucleon. Until about 20 years ago the half-integral spin of the neutron and p- ton was regarded as their intrinsic property as Dirac particles which were the basic building blocks of atomic nuclei. Then, with the advent of the Standard Model and of quarks as the basic building blocks, the substructure of the - cleon became the subject of intense interest. Initial nonrelativistic quark m- els assigned the origin of nucleon spin to the fundamental half-integral spin of its three constituent quarks, leaving no room for contributions to the spin from the gluons associated with the interacting quarks or from the orbital angular momentum of either gluons or quarks. That naive understanding was shaken, about fifteen years ago, by experiments involving deep-inelastic scattering of electrons or muons from nucleons.

"Paradox" conjures up arrows and tortoises. But it has a speculative, gedanken ring: no one would dream of really conjuring up Achilles to confirm that he catches the tortoise. The paradox of Einstein, Podolsky, and Rosen, however, is capable of empirical test. Attempted experimental resolutions have involved photons, but these are not detected often enough to settle the matter. Kaons are easier to detect and will soon be used to discriminate between quantum mechanics and local realism. The existence ofan objective physical reality, which had disappeared behind the impressive formalism of quantum mechanics, was originally intended to be the central issue of the paradox; locality, like the mathematics used, was just assumed to hold. Quantum mechanics, with its incompatible measurements, was born rather by chance in an atmosphere of great positivistic zeal, in which only the obviously measurable had scientific respectability. Speculation about occult "unobservable" quantities was viewed as vacuous metaphysics, which should surely form no part of a mature scientific attitude. Soon the "unmeasurable, " once only disreputable, vanished altogether. One had first been told not to worry about it; then, as dogma got more carefully defined, one was assured that the unobserved was just not there. This made it easier not to think about it and to avoid hazardous metaphysical temptation.

The book is devoted to processes at the interaction of high energy charged particles and photons with crystals. Among them are the creation of electron-positron pair by photon in crystalline field, the radiation of particles in this field and, connected with these effects, the new type of electromagnetic showers in crystals, the channeling of fast particles in crystal and channeling radiation. At high energies, the processes of quantum electrodynamics (QED) in intense external fields play an important role in crystals. The first third of the book contains a new formulation of QED in external fields which is valid for any external field, including an essentially nonuniform one and has vast applications.

The 12th Winter Workshop on Nuclear Dynamics carried on the tradition, started in 1978, of bringing together scientists working in all regimes of nuclear dynamics. This broad range of related topics allows the researcher attending the Workshop to be exposed to work that normally would be considered outside his/her field, but could po tentially add a new dimension to the understanding of his/her work. At Snowbird, we brought together experimentalists working with heavy ion beams from 10 MeV/nucleon up to 200 GeV /nucleon and theoretical physicists working in diverse areas ranging from antisymmetrized fermionic dynamics to perturbative quantum chromo dynamics. Fu ture work at RHIC was discussed also, with presentations from several of the experimen tal groups. In addition, several talks addressed issues of cross-disciplinary relevance, from the study of water-drop-collisions, to the multi-fragmentation of buckyballs. Clearly the field of nuclear dynamics has a bright future. The understanding of the nuclear equation of state in all of its manifestations is being expanded on all fronts both theoretically and experimentally. Future Workshops on Nuclear Dynamics will certainly have much progress to report. Gary D. Westfall Wolfgang Bauer Michigan State Universzty v PREVIOUS WORKSHOPS The following table contains a list of the dates and locations of the previous Winter Workshops on Nuclear Dynamics as well as the members of the organizing committees. The chairpersons of the conferences are underlined."

Research on photon and electron collisions with atomic and molecular targets and their ions has seen a rapid increase in interest, both experimentally and theoretically, in recent years. This is partly because these processes provide an ideal means of investigating the dynamics of many particle systems at a fundamental level and partly because their detailed understanding is required in many other fields, particularly astrophysics, plasma physics and controlled thermonuclear fusion, laser physics, atmospheric processes, isotope separation, radiation physics and chemistry and surface science. In recent years a number of important advances have been made, both on the experimental side and on the theoretical side. On the experimental side these include absolute measurements of cross sections, experiments using coincidence techniques, the use of polarised beams and targets, the development of very high energy resolution electron beams, the use of synchrotron radiation sources and ion storage rings, the study of laser assisted atomic collisions, the interaction of super-intense lasers with atoms and molecules and the increasing number of studies using positron beams.

This book celebrates the career and scientific accomplishments of Professor David Buckingham, who is due to retire from his Chair at Cambridge University in 1997.

The adopted format comprises reprints of a number of David Buckingham's key scientific papers, each one or two of these preceded by a review of the corresponding area of David's wide-ranging research interest. Each reviewer is recognised as an expert in that field of interest and has some close association with David Buckingham, as a scientific colleague and/or a former research student. The book should serve as a distinctive reference source, both retrospective and prospective, for the field of chemical physics with which the name A.D. Buckingham is associated.

The editors opted to reprint a majority of early classic Buckingham papers, balanced by some of David Buckingham's more recent publications. Reprinted papers have been placed into a general scientific context that covers prior influences on, and later impacts by, the work nominated for review.

This second volume of the Charged Particle Traps deals with the rapidly expanding body of research exploiting the electromagnetic con?nement of ions, whose principles and techniques were the subject of volume I. These applications include revolutionary advances in diverse ?elds, ranging from such practical ?elds as mass spectrometry, to the establishment of an ult- stable standard of frequency and the emergent ?eld of quantum computing made possible by the observation of the quantum behavior of laser-cooled con?nedions. Bothexperimentalandtheoreticalactivity intheseapplications has proliferated widely, and the number of diverse articles in the literature on its many facets has reached the point where it is useful to distill and organize the published work in a uni?ed volume that de?nes the current status of the ?eld. As explained in volume I, the technique of con?ning charged particles in suitable electromagnetic ?elds was initially conceived by W. Paul as a thr- dimensional version of his rf quadrupole mass ?lter. Its ?rst application to rf spectroscopy on atomic ions was completed in H. G. Dehmelt's laboratory where notable work was later done on the free electron using the Penning trap. The further exploitation of these devices has followed more or less - dependently along the two initial broad areas: mass spectrometry and high resolution spectroscopy. In volume I a detailed account is given of the theory of operation and experimental techniques of the various forms of Paul and Penning ion traps.

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In Elements, Principles and Particles, Antonio Clericuzio explores the relationships between chemistry and corpuscular philosophy in the age of the Scientific Revolution. Science historians have regarded chemistry and corpuscular philosophy as two distinct traditions. Clericuzio's view is that since the beginning of the 17th century atomism and chemistry were strictly connected. This is attested by Daniel Sennert and by many hitherto little-known French and English natural philosophers. They often combined a corpuscular theory of matter with Paracelsian chemical (and medical) doctrines. Boyle plays a central part in the present book: Clericuzio redefines Boyle's chemical views, by showing that Boyle did not subordinate chemistry to the principles of mechanical philosophy. When Boyle explained chemical phenomena, he had recourse to corpuscles endowed with chemical, not mechanical, properties. The combination of chemistry and corpuscular philosophy was adopted by a number of chemists active in the last decades of the 17th century, both in England and on the Continent. Using a large number of primary sources, the author challenges the standard view of the corpuscular theory of matter as identical with the mechanical philosophy. He points out that different versions of the corpuscular philosophy flourished in the 17th century. Most of them were not based on the mechanical theory, i.e. on the view that matter is inert and has only mechanical properties. Throughout the 17th century, active principles, as well as chemical properties, are attributed to corpuscles. Given its broad coverage, the book is a significant contribution to both history of science and history of philosophy.

Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance.
The book covers a wide range of methods based on explicitly correlated functions written by leaders in the field, including Kutzelnigg, Jeziorski, Szalewicz, Klopper and Noga. The book begins with a chapter on the theory of electron correlation and then the following three chapters describe different types of functions that can be used to solve the electronic Schrodinger equation for atoms and molecules. The book goes on to discuss the effects that go beyond the Born-Oppenheimer approximation, theory of relativistic effects, solution of the Dirac-Colomb equation, and relativistic correction using ECG functions. The last part of the book reviews applications of EC functions to calculate atomic and molecular properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion.
"

This book aims to present a unified account of the physics of atoms and molecules from a modern viewpoint. It is based on courses given by the authors at Middle East Technical University, Ankara and Georgia Institute of Technology, Atlanta, and is suitable for study at third and fourth year levels of an undergraduate course.Students should be able to read this volume and understand its contents without the need to supplement it by referring to more detailed discussions. The whole subject covered in this volume is expected to be finished in one semester.

This thesis presents results crucial to the emerging field of indirect excitons. These specially designed quasiparticles give the unique opportunity to study fundamental properties of quantum degenerate Bose gases in semiconductors. Furthermore, indirect excitons allow for the creation of novel optoelectronic devices where excitons are used in place of electrons. Excitonic devices are explored for the development of advanced signal processing seamlessly coupled with optical communication. The thesis presents and describes the author's imaging experiments that led to the discovery of spin transport of excitons. The many firsts presented herein include the first studies of an excitonic conveyer, leading to the discovery of the dynamical localization-delocalization transition for excitons, and the first excitonic ramp and excitonic diode with no energy-dissipating voltage gradient.

The great advantage of coincidence measurements is that by suitable choice of the kinematical and geometrical arrangement one may probe delicate physical effects which would be swamped in less differential experiments. The measurement of the triple dif ferential and higher-order cross sections presents enormous technical difficulties, but refined experiments of this type provide an insight into the subtleties of the scattering process and offer a welcome, if severe, test of the available theoretical models. The last few years have been an exciting time to work in the field and much has been learned. Profound insights have been gleaned into the basic Coulomb few body problem in atomic physics: the experimental study of the fundamental (e,2e) processes on hydrogen and helium targets continues to add to our knowledge and indeed to challenge the best of our theoretical models; significant advances have been made in the understanding of the "double excitation problem," that is the study of ionization processes with two active target electrons: important measurements of (e,3e), (, ), 2e), excitation-ionization and excitation autoionization have been reported and strides have been made in their theoretical description; the longstanding discrepancies between theory and experiment for relativistic (e,2e) processes were resolved, spin dependent effects predicted and ob served and the first successful coincidence experiments on surfaces and thin films were announced. Theory and experiment have advanced in close consort. The papers pre sented here cover the whole gambit of research in the field. Much has been achieved but much remains to be done."

This thesis discusses in detail the measurement of the polarizations of all S-wave vector quarkonium states in LHC proton-proton collisions with the CMS detector. Heavy quarkonium states constitute an ideal laboratory to study non-perturbative effects of quantum chromodynamics and to understand how quarks bind into hadrons. The experimental results are interpreted through an original phenomenological approach, which leads to a coherent picture of quarkonium production cross sections and polarizations within a simple model, dominated by one single color-octet production mechanism. These findings provide new insights into the dynamics of heavy quarkonium production at the LHC, an important step towards a satisfactory understanding of hadron formation within the standard model of particle physics.

Cosmogenic radionuclides are radioactive isotopes which are produced by natural processes and distributed within the Earth system. With a holistic view of the environment the authors show in this book how cosmogenic radionuclides can be used to trace and to reconstruct the history of a large variety of processes. They discuss the way in which cosmogenic radionuclides can assist in the quantification of complex processes in the present-day environment. The book aims to demonstrate to the reader the strength of analytic tools based on cosmogenic radionuclides, their contribution to almost any field of modern science, and how these tools may assist in the solution of many present and future problems that we face here on Earth. The book provides a comprehensive discussion of the basic principles behind the applications of cosmogenic (and other) radionuclides as environmental tracers and dating tools. The second section of the book discusses in some detail the production of radionuclides by cosmic radiation, their transport and distribution in the atmosphere and the hydrosphere, their storage in natural archives, and how they are measured. The third section of the book presents a number of examples selected to illustrate typical tracer and dating applications in a number of different spheres (atmosphere, hydrosphere, geosphere, biosphere, solar physics and astronomy). At the same time the authors have outlined the limitations of the use of cosmogenic radionuclides. Written on a level understandable by graduate students without specialist skills in physics or mathematics, the book addresses a wide audience, ranging from archaeology, biophysics, and geophysics, to atmospheric physics, hydrology, astrophysics and space science.

Much instrumentation has been developed for imaging the trajectories of elementary particles produced in high energy collisions. Since 1968, gaseous detectors, beginning with multiwire chambers and drift chambers, have been used for the visualisation of particle trajectories and the imaging of X-rays, neutrons, hard gamma rays, beta rays and ultraviolet photons. This book commemorates the groundbreaking research leading to the evolution of such detectors carried out at CERN by Georges Charpak, Nobel Prizewinner for Physics in 1992. Besides collecting his key papers, the book also includes original linking commentary which sets his work in the context of other worldwide research.

Much instrumentation has been developed for imaging the trajectories of elementary particles produced in high energy collisions. Since 1968, gaseous detectors, beginning with multiwire chambers and drift chambers, have been used for the visualisation of particle trajectories and the imaging of X-rays, neutrons, hard gamma rays, beta rays and ultraviolet photons. This book commemorates the groundbreaking research leading to the evolution of such detectors carried out at CERN by Georges Charpak, Nobel Prizewinner for Physics in 1992. Besides collecting his key papers, the book also includes original linking commentary which sets his work in the context of other worldwide research.

Atoms and Their Spectroscopic Properties has been designed as a reference on atomic constants and elementary processes involving atoms. The topics include energy levels, Lamb shifts, electric multipole polarizabilities, oscillator strengths, transition probabilites, and charge transfer cross sections. In addition the subjects of ionization, photoionization, and excitation are discussed. The book also comprises a large number of figures and tables, with ample references. Simple analytical formulas allow one to estimate the atomic characteristics without resorting to a computer.

Chirality and stereogenicity are closely related concepts and their differentiation and description is still a challenge in chemoinformatics. In his 2015 book, Fujita developed a new stereoisogram approach that provided theoretical framework for mathematical aspects of modern stereochemistry. This new edition includes a new chapter on Computer-Oriented Representations developed by the author based on Groups, Algorithms, Programming (GAP) system.

This work unites the concepts of laser cooling and matter-wave interferometry to develop an interferometric laser cooling technique in an experimental system of cold rubidium atoms. Serving as an introduction to graduate level coherent optical atomic manipulation, the thesis describes the theory of stimulated Raman transitions and atom interferometry, along with the experimental methods for preparing and manipulating cold atoms, before building on these foundations to explore tailored optical pulse sequences and novel atomic cooling techniques. Interferometric cooling, originally proposed by Weitz and Hansch in 2000, is based upon the coherent broadband laser pulses of Ramsey interferometry and in principle allows laser cooling of atomic and molecular species outside the scope of traditional Doppler laser cooling. On the path toward cooling, composite pulses - quantum error correction methods, developed by chemists to mitigate the effects of in homogeneities in NMR spectroscopy - are investigated with a view to improving the performance of atom interferometers.