International Nuclear Information System (INIS)
Kimura, M.
1986-01-01
A review of various theoretical treatments which have been used to study electron-capture and excitation processes in two-electron-system ion-atom, atom-atom collisions at low to intermediate energy is presented. Advantages as well as limitations associated with these theoretical models in application to practical many-electron ion-atom, atom-atom collisions are specifically pointed out. Although a rigorous theoretical study of many-electron systems has just begun so that reports of theoretical calculations are scarce to date in comparison to flourishing experimental activities, some theoretical results are of great interest and provide important information for understanding collision dynamics of the system which contains many electrons. Selected examples are given for electron capture in a multiply charged ion-He collision, ion-pair formation in an atom-atom collision and alignment and orientation in a Li + + He collision. (Auth.)
Atomic rubidium, the workhorse of theoretical collision physics
Verhaar, B.; van Kempen, E.; Kokkelmans, S.J.J.M.F.
2008-01-01
Since the first realizations of Bose-Einstein condensates in ultracold atomic gases in 1995, the 85Rb and 87Rb atomic species have acted as the workhorses of experimental developments in this field. Parallel to and partly preceding this work the same isotopes figured also as workhorses for
Electron excitation collision strengths for positive atomic ions: a collection of theoretical data
International Nuclear Information System (INIS)
Merts, A.L.; Mann, J.B.; Robb, W.D.; Magee, N.H. Jr.
1980-03-01
This report contains data on theoretical and experimental cross sections for electron impact excitation of positive atomic ions. It is an updated and corrected version of a preliminary manuscript which was used during an Atomic Data Workshop on Electron Excitation of Ions held at Los Alamos in November 1978. The current status of quantitative knowledge of collisional excitation collision strengths is shown for highly stripped ions where configuration mixing, relativistic and resonance effects may be important. The results show a reasonably satisfactory state for first-row isoelectronic ions and indicate that a considerable amount of work remains to be done for second-row and heavier ions
International Nuclear Information System (INIS)
Prunele, Eugene de.
1979-01-01
The problem of the collision between an atom in the Rydberg state and a neutral atom (or molecule) is considerably simplified if it is considered as the collision of a B particle with a system of two linked particles A + and e - . If the interaction between these two particles is described by a potential and if the three-body interaction is approximated by a potential equal to the sum of the two-body interaction potentials, the problem is theoretically solvable exactly within the framework of quantum mechanics but, its explicit solution is very complicated, even for very simple potentials. Various types of approaches are then necessary. The choice of interaction potentials is already an approximation, for it is obviously not known how to describe exactly the interaction between the electron and atom B for example. The fact that the electron is, on average, very far from core A + has enabled an interaction potential to be simulated between B and e - when the latter is linked to A + , by utilizing the scattering data between free e - and B. (Fermi's pseudopotential). A second approach consists in utilizing the scattering data between free e - and B, without bringing in an interaction potential between e - and B. The first approach is more satisfactory from the theoretical point of view; the second and less ambitious one is more useful [fr
Recent theoretical studies of slow collisions between plasma impurity ions and H or He atoms
Energy Technology Data Exchange (ETDEWEB)
Fritsch, W. [Hahn-Meitner-Institut Berlin GmbH (Germany). Bereich Theoretische Physik; Tawara, H.
1997-01-01
We review recent progress in theoretical studies of slow collisions between light plasma impurity ions and atomic hydrogen or helium. We start with a brief overview of theory work that has been done by various groups in the past. We then proceed to discuss work that is published in the last two years. For the systems of Be{sup 2+}-He, Be{sup 4+}-He and C{sup 5+}-He we present yet unpublished work of our own. All of this work broadens our knowledge about systems that are of interest for the fusion community. Some of the new information is found to be at variance with what is known from other sources and hence needs further analysis. (author)
International Nuclear Information System (INIS)
Berenyi, D.; Biri, S.; Gulyas, L.; Juhasz, Z.; Kover, A.; Orban, A.; Palinkas, J.; Papp, T.; Racz, R.; Ricz, S.
2009-01-01
emission from H 2 by fast ion impact; Fast electron ejection in slow and intermediate velocity ion-atom collisions: Fermi-shuttle type pingpong games in single ionization; Fragmentation of biologically relevant molecules in collisions with ions; Guiding of highly charged ions through insulating nanocapillaries; Theoretical description of the atomic collision processes. Summary: We hope that the present selection provides the reader with a flavor of the atomic collision physics research performed in our Section. It is seen that we have a strong interest in fundamental processes. It is also seen that the research work in the field is developing from the basic study of simple systems to different directions. One of them goes towards a deeper understanding of simple systems and fundamental processes. The other direction is the analysis of complex, sometimes strange phenomena, up to the study of mesoscopic effects governed by atomic collision processes. Moreover, new experimental facilities and possibilities (e.g., the availability of antiparticles) are always a challenge to start into a new direction. Finally, as our community gets better equipped for handling complex problems, we are turning to study systems, which are related to applied sciences and direct applications. We believe that these are all natural ways to find the future of the field of atomic collision physics.
International Nuclear Information System (INIS)
Drachman, R.J.
1984-01-01
The past decade has seen the field of positron-atom collisions mature into an important sub-field of atomic physics. Increasingly intense positron sources are leading towards a situation in which electron and positron collision experiments will be on almost an equal footing, challenging theory to analyze their similarities and differences. The author reviews the advances made in theory, including dispersion theory, resonances, and inelastic processes. A survey of experimental progress and a brief discussion of astrophysical positronics is also included. (Auth.)
Korol, Andrey V.; Solov'yov, Andrey
2013-01-01
Atomic cluster collisions are a field of rapidly emerging research interest by both experimentalists and theorists. The international symposium on atomic cluster collisions (ISSAC) is the premier forum to present cutting-edge research in this field. It was established in 2003 and the most recent conference was held in Berlin, Germany in July of 2011. This Topical Issue presents original research results from some of the participants, who attended this conference. This issues specifically focuses on two research areas, namely Clusters and Fullerenes in External Fields and Nanoscale Insights in Radiation Biodamage.
Laser-assisted atom-atom collisions
International Nuclear Information System (INIS)
Roussel, F.
1984-01-01
The basic layer-assisted atom-atom collision processes are reviewed in order to get a simpler picture of the main physical facts. The processes can be separated into two groups: optical collisions where only one atom is changing state during the collision, the other acting as a spectator atom, and radiative collisions where the states of the two atoms are changing during the collision. All the processes can be interpreted in terms of photoexcitation of the quasimolecule formed during the collisional process. (author)
Topics in atomic collision theory
Geltman, Sydney; Brueckner, Keith A
1969-01-01
Topics in Atomic Collision Theory originated in a course of graduate lectures given at the University of Colorado and at University College in London. It is recommended for students in physics and related fields who are interested in the application of quantum scattering theory to low-energy atomic collision phenomena. No attention is given to the electromagnetic, nuclear, or elementary particle domains. The book is organized into three parts: static field scattering, electron-atom collisions, and atom-atom collisions. These are in the order of increasing physical complexity and hence necessar
Relativistic Collisions of Structured Atomic Particles
Voitkiv, Alexander
2008-01-01
The book reviews the progress achieved over the last decade in the study of collisions between an ion and an atom in which both the atomic particles carry electrons and can undergo transitions between their internal states -- including continua. It presents the detailed considerations of different theoretical approaches, that can be used to describe collisions of structured atomic particles for the very broad interval of impact energies ranging from 0.5--1 MeV/u till extreme relativistic energies where the collision velocity very closely approaches the speed of light.
Bremsstrahlung in atom-atom collisions
International Nuclear Information System (INIS)
Amus'ya, M.Y.; Kuchiev, M.Y.; Solov'ev, A.V.
1985-01-01
It is shown that in the collision of a fast atom with a target atom when the frequencies are on the order of the potentials or higher, there arises bremsstrahlung comparable in intensity with the bremsstrahlung emitted by an electron with the same velocity in the field of the target atom. The mechanism by which bremsstrahlung is produced in atom-atom collisions is elucidated. Results of specific calculations of the bremsstrahlung spectra are given for α particles and helium atoms colliding with xenon
Friedrich, Harald
2017-01-01
This expanded and updated well-established textbook contains an advanced presentation of quantum mechanics adapted to the requirements of modern atomic physics. It includes topics of current interest such as semiclassical theory, chaos, atom optics and Bose-Einstein condensation in atomic gases. In order to facilitate the consolidation of the material covered, various problems are included, together with complete solutions. The emphasis on theory enables the reader to appreciate the fundamental assumptions underlying standard theoretical constructs and to embark on independent research projects. The fourth edition of Theoretical Atomic Physics contains an updated treatment of the sections involving scattering theory and near-threshold phenomena manifest in the behaviour of cold atoms (and molecules). Special attention is given to the quantization of weakly bound states just below the continuum threshold and to low-energy scattering and quantum reflection just above. Particular emphasis is laid on the fundamen...
Atomic and molecular collision processes
International Nuclear Information System (INIS)
Norcross, D.W.
1991-01-01
530Accomplishments during the course of a 44-month program of code development and high precision calculations for electron collisions with atoms, atomic ions, and molecules are summarized. In electron-atom and -ion collisions, we were primarily concerned with the fundamental physics of the process that controls excitation in high temperature plasmas. In the molecular work, we pursued the development of techniques for accurate calculations of ro-vibrational excitation of polyatomic molecules, to the modeling of gas-phase laser systems. Highlights from the seven technical paper published as a result of this contract include: The resolution of a long history of unexplained anomalies and experimental/theoretical discrepancies by a demonstration that the Coulomb phase must be included in scattering amplitudes for electron-ion collisions. Definitive close-coupling calculations of cross sections for electron impact excitation of Be + , using a very elaborate expansion for the collision system and inclusion of both one- and two-body terms for the effect of core polarization. Detailed state-of-the-art calculations for electron-impact excitation of the sodium-like ion A ell 2+ that included core-polarization interactions, and which also produced new data on bound-state energy levels for the magnesium-like ion A ell + and oscillator strengths for A ell 2+ . Partial cross sections for excitation of the 3p level of sodium at energies just above threshold calculated using a four-state close-coupling approach, including both total cross sections and those for excitation as a function of the change in the spin and orbital angular momentum projection quantum numbers of the target electron. Generalization of our electron-molecule scattering code to carry out full vibrational close-coupling calculations with an exact treatment of exchange and with a parameter-free representation of correlation and polarization interactions, and application to HF and H 2
International Nuclear Information System (INIS)
Choi, B.H.; Tang, K.T.
1975-01-01
The close coupled differential equations for rotational excitation in collisions between an atom and a diatomic molecule are reformulated. Although it is equivalent to other formulations, it is computationally more convenient and gives a simpler expression for differential cross sections. Questions concerning real boundary conditions and the unitarity of the S matrix are discussed. Stormer's algorithm for solving coupled differential equations is introduced for molecular scatterings. This numerical procedure, which is known to be very useful in nuclear scattering problems, has to be modified for molecular systems. It is capable of treating the case where all channels are open as well as the case where some of the channels are closed. This algorithm is compared with other typical procedures of solving coupled differential equations
Collision-produced atomic states
International Nuclear Information System (INIS)
Andersen, N.; Copenhagen Univ.
1988-01-01
The last 10-15 years have witnessed the development of a new, powerful class of experimental techniques for atomic collision studies, allowing partial or complete determination of the state of the atoms after a collision event, i.e. the full set of quantum-mechanical scattering amplitudes or - more generally - the density matrix describing the system. Evidently, such studies, involving determination of alignment and orientation parameters, provide much more severe tests of state-of-the-art scattering theories than do total or differential cross section measurements which depend on diagonal elements of the density matrix. The off-diagonal elements give us detailed information about the shape and dynamics of the atomic states. Therefore, close studies of collision-produced atomic states are currently leading to deeper insights into the fundamental physical mechanisms governing the dynamics of atomic collision events. The first part of the lectures deals with the language used to describe atomic states, while the second part presents a selection of recent results for model systems which display fundamental aspects of the collision physics in particularly instructive ways. I shall here restrict myself to atom-atom collisions. The discussion will be focused on states decaying by photon emission though most of the ideas can be easily modified to include electron emission as well. (orig./AH)
Atomic collisions involving pulsed positrons
DEFF Research Database (Denmark)
Merrison, J. P.; Bluhme, H.; Field, D.
2000-01-01
Conventional slow positron beams have been widely and profitably used to study atomic collisions and have been instrumental in understanding the dynamics of ionization. The next generation of positron atomic collision studies are possible with the use of charged particle traps. Not only can large...... instantaneous intensities be achieved with in-beam accumulation, but more importantly many orders of magnitude improvement in energy and spatial resolution can be achieved using positron cooling. Atomic collisions can be studied on a new energy scale with unprecedented precion and control. The use...
Continuum states in ion-atom collisions
Energy Technology Data Exchange (ETDEWEB)
Garibotti, C.R. (Centro Atomico Bariloche and CONICET (Argentina)); Barrachina, R.O. (Centro Atomico Bariloche and CONICET (Argentina))
1994-03-01
We review the experimental and theoretical situation for ionization collisions of nude ions with neutral gas atoms, at intermediate and high impact energies. We consider particularly that part of the electron spectrum where emission is larger, corresponding to the joint action to the two ions. We discuss the evidence of this two-center interaction and how it is described by current theories. (orig.)
Atomic collisions research with excited atomic species
International Nuclear Information System (INIS)
Hoogerland, M.D.; Gulley, R.J.; Colla, M.; Lu, W.; Milic, D.; Baldwin, K.G.H.; Buckman, S.J.
1999-01-01
Measurements and calculations of fundamental atomic collision and spectroscopic properties such as collision cross sections, reaction rates, transition probabilities etc. underpin the understanding and operation of many plasma and gas-discharge-based devices and phenomena, for example plasma processing and deposition. In almost all cases the complex series of reactions which sustains the discharge or plasma, or produces the reactive species of interest, has a precursor electron impact excitation, attachment, dissociation or ionisation event. These processes have been extensively studied in a wide range of atomic and molecular species and an impressive data base of collision cross sections and reaction rates now exists. However, most of these measurements are for collisions with stable atomic or molecular species which are initially in their ground electronic state. Relatively little information is available for scattering from excited states or for scattering from unstable molecular radicals. Examples of such species would be metastable excited rare gases, which are often used as buffer gases, or CF 2 radicals formed by electron impact dissociation in a CF 4 plasma processing discharge. We are interested in developing experimental techniques which will enable the quantitative study of such exotic atomic and molecular species. In this talk I would like to outline one such facility which is being used for studies of collisions with metastable He(2 3 S) atoms
Alignment and orientation in ion/endash/atom collisions
International Nuclear Information System (INIS)
Kimura, M.; Lane, N.F.
1987-01-01
Recent progress in the theoretical study of alignment and orientation in atom-atom and ion-atom collisions at intermediate energies is reviewed. Recent systematic studies of the alignment and orientation of electronic charge cloud distributions of excited states resulting from such collisions clearly have provided more detailed information about the underlying collision dynamics. However, since accurate determination of these parameters is quite difficult, both theoretically and experimentally, a close collaboration between theory and experiment is necessary for a deeper understanding of the collision dynamics. A more complete approach, where the full density matrix is determined, is also discussed
Radiations from atomic collision processes
International Nuclear Information System (INIS)
Bernyi, D.
1994-01-01
The physics of atomic collision phenomena in which only the Coulomb forces have a role is an actual field or the research of the present days. The impact energy range in these collisions is very broad,it extends from the eV or even lower region to the GeV region or higher,i.e. it spans the region of three branches of physics,namely that of the atomic,the nuclear and the particle physics.To describe and explain the collision processes themselves, different models (collision mechanisms) are used and they are surveyed in the presentation. Different electromagnetic radiations and particles are emitted from the collision processes.Their features are shown in details together with the most important methods in their detection and study.Examples are given based on the literature and on the investigations of the author and his coworkers. The applications of the radiation from atomic collisions in other scientific fields and in the solution of different practical problems are also surveyed shortly. 16 figs., 2 tabs., 76 refs. (author)
Ultrarelativistic atomic collisions
International Nuclear Information System (INIS)
Bottcher, C.; Strayer, M.R.
1991-01-01
Calculations of the coherent production of free pairs and of pair production with electron capture from ultrarelativistic ion-ion collisions are discussed. Theory and experiment are contrasted, with some conjectures on the possibility of new phenomena. 29 refs., 5 figs., 1 tab
Atom-atom collision cascades localization
International Nuclear Information System (INIS)
Kirsanov, V.V.
1980-01-01
The presence of an impurity and thermal vibration influence on the atom-atom collision cascade development is analysed by the computer simulation method (the modificated dynamic model). It is discovered that the relatively low energetic cascades are localized with the temperature increase of an irradiated crystal. On the basis of the given effect the mechanism of splitting of the high energetic cascades into subcascades is proposed. It accounts for two factors: the primary knocked atom energy and the irradiated crystal temperature. Introduction of an impurity also localizes the cascades independently from the impurity atom mass. The cascades localization leads to intensification of the process of annealing in the cascades and reduction of the post-cascade vacancy cluster sizes. (author)
Spectroscopic studies of hydrogen atom and molecule collisions: Performance report
International Nuclear Information System (INIS)
Kielkopf, J.
1986-01-01
This research is concerned with spectroscopic measurements of collisions in atomic and molecular hydrogen in order to clarify the basic physical processes that take place during radiative collisions and to provide experimental values for systems where the theoretical analysis is tractable. To this end, we proposed to measure from the cores to the far wings the profiles of the spectral lines of atomic hydrogen broadened by molecular hydrogen and noble gases, and to study energy transfer in the atom and molecule
Remarks on theoretical hot-atom chemistry
International Nuclear Information System (INIS)
Inokuti, Mitio
1993-01-01
The publication of the 'Handbook of Hot Atom Chemistry', following the earlier volume 'Recent Trend and Application', was a major milestone in physical chemistry. Theoretical treatments of hot atom chemistry must address two classes of problems. The first class concerns the individual collisions of hot atoms with other atoms or molecules. The second class concerns the description of the consequences of the many collisions of hot atoms and their chemical environment. Most of the remarks pertain to the problems of the first class. The central issue is the adiabaticity of nuclear motions versus electronic motions. To be precise, any atomic core motion should be mentioned rather than pure nuclear motion, because tightly bound core electrons are largely irrelevant to the chemistry. When nuclear motions are sufficiently slow, or for other reasons that can be regarded as adiabatic, the collision problem is basically straightforward, therefore, interatomic and intermolecular forces can be assumed, and their consequences for nuclear motions are calculable in principle. In the case of non-adiabaticity being important, much more difficult problems arise, and it is briefly discussed, and the work by Phelps is cited. (K.I.)
1980-10-01
is" ikk32 (a(h(tOAI + Ca6 1 2 (t, , tA~f~ ( 3) 0 -d=IV + k) (4) Matrix element, of Hamsiltonian H are given by (a) (0, FIG. 1. Three-level’.systems...expressions for transition probabilities. The theoretical treatments are similar for the two problems. The relative nuclear motion is taken to be a...locked lasers. The present treatment assumes that the coupling between the intermediate state (Is) and the continuum is weak, implying that Nhifl is
Collision assisted Zeeman cooling with multiple types of atoms
Hamilton, Mathew S.; Wilson, Rebekah F.; Roberts, Jacob L.
2014-01-01
Through a combination of spin-exchange collisions in a magnetic field and optical pumping, it is possible to cool a gas of atoms without requiring the loss of atoms from the gas. This technique, collision assisted Zeeman cooling (CAZ), was developed theoretically assuming a single atomic species [G. Ferrari, Eur. Phys. J. D 13, 67 (2001)]. We have extended this cooling technique to a system of two atomic species rather than just one and have developed a simple analytic model describing the cooling rate. We find that the two-isotope CAZ cooling scheme has a clear theoretical advantage in systems that are reabsorption limited.
International Nuclear Information System (INIS)
Rodriguez, V.D.
2003-01-01
We present continuum distorted wave-eikonal initial state (CDW-EIS) theoretical calculations for the projectile deflection in single ionization of helium by heavy-ion impact as a function of ionized electron energies. These calculations account for the helium passive electron shielding in the internuclear interaction improving standard CDW-EIS theory. The results are compared with recent experimental results by impact of 100 MeV/amu C 6+ and 3.6 MeV/amu Au 53+ . For highly charged projectiles there is a poor quantitative agreement between theory and experiment. However, this refined calculation does share some qualitative features with the data. In particular the variation of the effective charge of the residual He + ion from Z eff =1 to Z eff =2 when going from small to large projectile scattering angles is able to represent a shoulder observed in the double differential cross sections. Important qualitative differences are observed at the level of triple differential cross sections
Sixteenth International Conference on the physics of electronic and atomic collisions
International Nuclear Information System (INIS)
Dalgarno, A.; Freund, R.S.; Lubell, M.S.; Lucatorto, T.B.
1989-01-01
This report contains abstracts of papers on the following topics: photons, electron-atom collisions; electron-molecule collisions; electron-ion collisions; collisions involving exotic species; ion- atom collisions, ion-molecule or atom-molecule collisions; atom-atom collisions; ion-ion collisions; collisions involving rydberg atoms; field assisted collisions; collisions involving clusters and collisions involving condensed matter
Sixteenth International Conference on the physics of electronic and atomic collisions
Energy Technology Data Exchange (ETDEWEB)
Dalgarno, A.; Freund, R.S.; Lubell, M.S.; Lucatorto, T.B. (eds.)
1989-01-01
This report contains abstracts of papers on the following topics: photons, electron-atom collisions; electron-molecule collisions; electron-ion collisions; collisions involving exotic species; ion- atom collisions, ion-molecule or atom-molecule collisions; atom-atom collisions; ion-ion collisions; collisions involving rydberg atoms; field assisted collisions; collisions involving clusters and collisions involving condensed matter.
Electron transfer, ionization, and excitation atomic collisions
International Nuclear Information System (INIS)
Winter, T.G.; Alston, S.G.
1990-01-01
Basic atomic-collision processes at intermediate and high energies are being studied theoretically at Penn State by Alston and Winter. In the high velocity regime, single-electron capture is treated using a high order multiple-scattering approach; extensive comparison with experiment and analysis of mechanisms have been made. Fitting the calculated amplitude with a simple analytic form, the asymptotic velocity dependence of the cross section is obtained. The effect on the capture amplitude of altering the inner part of the internuclear potential has also been explored. In the intermediate velocity regime, earlier work on collisions between protons and hydrogenic-ion targets using a coupled-state approach is being extended to the two-electron helium target. 29 refs
Systematics of atom-atom collision strengths at high speeds
International Nuclear Information System (INIS)
Gillespie, G.H.; Inokuti, M.
1980-01-01
The collision strengths for atom-atom collisions at high speeds are calculated in the first Born approximation. We studied four classes of collisions, distinguished depending upon whether each of the collision partners becomes excited or not. The results of numerical calculations of the collision strengths are presented for all neutral atoms with Z< or =18. The calculations are based on atomic form factors and incoherent scattering functions found in the literature. The relative contribution of each class of collision processes to the total collision cross section is examined in detail. In general, inelastic processes dominate for low-Z atoms, while elastic scattering is more important for large Z. Other systematics of the collision strengths are comprehensively discussed. The relevant experimental literature has been surveyed and the results of this work for the three collision systems H-He, He-He, and H-Ar are compared with the data for electron-loss processes. Finally, suggestions are made for future work in measurements of atom-atom and ion-atom collision cross sections
International Nuclear Information System (INIS)
Pustovit, A.N.
2006-01-01
A new approach to the theoretical description of energy losses of atomic particle of medium energy during their interaction with the substance is proposed. The corner-stone of this approach is the supposition that all of the collision processes have inelastic nature during particle movement through the substance, while the calculation of the atomic particles braking is based on the law of their dispersion and the laws of energy and momentum conservation at the inelastic collisions. It is shown that inelastic atomic collision there are three dispersion zones for the only potential interaction with different laws, which characterize energy losses. The application conditions of this approach are determined [ru
Laser-assisted electron-atom collisions
International Nuclear Information System (INIS)
Mason, N.J.
1989-01-01
New developments in our understanding of the electron-atom collision process have been made possible by combining the use of highly monochromatic electron beams and intense CO 2 lasers. This paper reviews such experiments and discusses possible future progress in what is a new field in atomic collision physics. (author)
Complete experiments in electron-atom collisions
International Nuclear Information System (INIS)
Anderson, N.; Bartschat, K.
1996-01-01
This paper addresses the advances up to the present in complete electron-atom collision experiments. The aim is to present a series of key examples for fundamental scattering processes, together with the experimental techniques that have been used. The purpose is not a full presentation of all processes studied, nor of all data that have been accumulated; rather, it is to select examples of the most recent theoretical and experimental results that will enable the reader to assess the present level of achievement. We hope that the power of this approach will become evident along the way, in the sense that it provides an efficient framework for a systematic, and complete test of the current theoretical understanding. In addition, it may produce specific recipes for ways to select experimental geometries that most efficiently test theoretical predictions, and it may reveal connections between apparently unrelated observables from often very different and highly sophisticated experiments, thus providing valuable consistency checks. The presentation is structured in the following way. To begin with, a general analysis of scattering amplitude properties concludes in a recipe for determination of the number of independent parameters necessary to define a complete experiment for a given process. We then proceed to analyze in a systematic way a string of specific cases of elastic and inelastic collisions, with gradually increasing levels of sophistication. Finally, we comment on directions in which future studies could fruitfully be pursued. 77 refs., 53 figs
Newly appreciated roles for electrons in ion-atom collisions
International Nuclear Information System (INIS)
Sellin, I.A.
1990-01-01
Since the previous Debrecen workshop on High-Energy Ion-Atom Collisions there have been numerous experiments and substantial theoretical developments in the fields of fast ion-atom and ion- solid collisions concerned with explicating the previously largely underappreciated role of electrons as ionizing and exciting agents in such collisions. Examples to be discussed include the double electron ionization problem in He; transfer ionization by protons in He; double excitation in He; backward scattering of electrons in He; the role of electron-electron interaction in determining beta parameters for ELC; projectile K ionization by target electrons; electron spin exchange in transfer excitation; electron impact ionization in crystal channels; resonant coherent excitation in crystal channels; excitation and dielectronic recombination in crystal channels; resonant transfer and excitation; the similarity of recoil ion spectra observed in coincidence with electron capture vs. electron loss; and new research on ion-atom collisions at relativistic energies
Charge exchange in ion-atom collisions
International Nuclear Information System (INIS)
Bransden, B.H.
1990-01-01
Charge exchange reactions in which electrons are transferred from one ion (or atom) to another during a collision have been studied both as interesting examples of rearrangement collisions and because of important applications in plasma physics. This article reviews the modern theory developed for use at non-relativistic energies, but excluding the thermal and very low energy region. (author)
Electron detachment in ion-atom collisions
International Nuclear Information System (INIS)
Vreugd, C. de.
1980-01-01
The electron detachment process that occurs in negative ion-atom collisions is investigated. Differential cross sections were measured for the collisions of F - , Cl - , Br - , I - on He, Ne, Ar, Kr, Xe, Na and K. Electron energy distributions were obtained for some of the systems. (Auth.)
Atomic collisions related to atomic laser isotope separation
International Nuclear Information System (INIS)
Shibata, Takemasa
1995-01-01
Atomic collisions are important in various places in atomic vapor laser isotope separation (AVLIS). At a vaporization zone, many atomic collisions due to high density have influence on the atomic beam characteristics such as velocity distribution and metastable states' populations at a separation zone. In the separation zone, a symmetric charge transfer between the produced ions and the neutral atoms may degrade selectivity. We have measured atomic excitation temperatures of atomic beams and symmetric charge transfer cross sections for gadolinium and neodymium. Gadolinium and neodymium are both lanthanides. Nevertheless, results for gadolinium and neodymium are very different. The gadolinium atom has one 5d electron and neodymium atom has no 5d electron. It is considered that the differences are due to existence of 5d electron. (author)
Atomic collision experiments using pulsed synchrotron radiation
International Nuclear Information System (INIS)
Arikawa, Tatsuo; Watanabe, Tsutomu.
1982-01-01
High intensity and continuous nature of the synchrotron radiation are the properties that are fundamentally important for studies of some atomic collision experiments, and many processes have been investigated by using these characteristics. However, so far the property that the radiation is highly polarized and pulsed in time has not been exploited significantly in atomic physics. As an example of the atomic processes relevant to such polarized and pulsed features of the synchrotron radiation, collisions involving optically-allowed excited atoms and molecules will be presented. (author)
Entropy lowering in ion-atom collisions
International Nuclear Information System (INIS)
Nguyen, H.; Bredy, R.; Camp, H.A.; DePaola, B.D.; Lee, T.G.; Awata, T.
2005-01-01
In ion-atom collisions, the charge transfer cross section is typically a strong function of the energy defect or Q value, typically with smaller energy defects giving rise to higher capture probabilities. In some theoretical treatments, for example those based on the Demkov model, the cross section is a strong function of the magnitude of the Q value, but is independent of its sign. In order to test this predicted sign independence, one must compare capture cross sections from energetically symmetric collision channels. In this work, relative capture cross sections, differential in scattering angle, are measured and compared for the energetically symmetric channels: Rb + +Rb(5s)→Rb(5p)+Rb + and Rb + +Rb(5p)→Rb(5s)+Rb + . It is found that not only are the two cross sections not equal, but that in this case the endoergic channel was 3 times more likely. That is, the entropy reducing channel was preferred. An intuitive model, based on molecular potential curves, is suggested. The endoergic propensity is found to be consistent with this model
Angular momentum coupling in atom-atom collisions
International Nuclear Information System (INIS)
Grosser, J.
1986-01-01
The coupling between the electronic angular momentum and the rotating atom-atom axis in the initial or the final phase of an atom-atom collision is discussed, making use of the concepts of radial and rotational (Coriolis) coupling between different molecular states. The description is based on a limited number of well-understood approximations, and it allows an illustrative geometric representation of the transition from the body fixed to the space fixed motion of the electrons. (orig.)
Ultrarelativistic heavy ion collisions Theoretical overview
International Nuclear Information System (INIS)
Blaizot, Jean-Paul
2006-01-01
This is a short review of some theoretical aspects of the physics of ultra-relativistic heavy ion collisions. I review the main properties of the QCD phase diagram and recent developments in the physics of high gluon densities in the hadronic wavefunctions at high energy. Then I comment salient results obtained at RHIC
Electron-Atom Collisions in Gases
Kraftmakher, Yaakov
2013-01-01
Electron-atom collisions in gases are an aspect of atomic physics. Three experiments in this field employing a thyratron are described: (i) the Ramsauer-Townsend effect, (ii) the excitation and ionization potentials of xenon and (iii) the ion-electron recombination after interrupting the electric discharge.
Plasmas applied atomic collision physics, v.2
Barnett, C F
1984-01-01
Applied Atomic Collision Physics, Volume 2: Plasmas covers topics on magnetically confined plasmas. The book starts by providing the history of fusion research and describing the various approaches in both magnetically and inertially confined plasmas. The text then gives a general discussion of the basic concepts and properties in confinement and heating of a plasma. The theory of atomic collisions that result in excited quantum states, particularly highly ionized impurity atoms; and diverse diagnostic topics such as emission spectra, laser scattering, electron cyclotron emission, particle bea
Low energy atom-atom collisions
International Nuclear Information System (INIS)
Child, M.S.
1980-01-01
The semiclassical theory of atom-atom potential scattering and of low energy inelastic atom-atom scattering is reviewed. Particular attention is given to the origin and interpretation of rainbow structure, diffraction oscillations and exchange oscillations in the potential scattering differential cross-section, and to the glory structure and symmetry oscillations in the integral cross-section. Available methods for direct inversion of the cross-section data to recover the potential are reviewed in some detail. The theory of non-adiabatic transitions is introduced by a short discussion of interaction mechanisms and of diabetic and adiabatic representations. Analytical S matrix elements are presented for two state curve-crossing (Landau-Zener-Stuckelberg), Demkov and Nikitin models. The relation between Stuckelberg oscillations in the S matrix and in the differential cross-section is discussed in terms of interference between trajectories belonging to two different classical deflection functions. The energy dependences of the inelastic integral cross-section for curve-crossing and Demkov type transitions are also discussed. Finally the theory is reviewed in relation to a recent close-coupled study of fine structure transitions in F( 2 P) + Xe( 2 S) scattering
Applied atomic and collision physics special topics
Massey, H S W; Bederson, Benjamin
1982-01-01
Applied Atomic Collision Physics, Volume 5: Special Topics deals with topics on applications of atomic collisions that were not covered in the first four volumes of the treatise. The book opens with a chapter on ultrasensitive chemical detectors. This is followed by separate chapters on lighting, magnetohydrodynamic electrical power generation, gas breakdown and high voltage insulating gases, thermionic energy converters, and charged particle detectors. Subsequent chapters deal with the operation of multiwire drift and proportional chambers and streamer chambers and their use in high energy p
Case studies in atomic collision physics
McDaniel, Earl Wadsworth
1972-01-01
Case Studies in Atomic Collision Physics II focuses on studies on the role of atomic collision processes in astrophysical plasmas, including ionic recombination, electron transport, and position scattering. The book first discusses three-body recombination of positive and negative ions, as well as introduction to ionic recombination, calculation of the recombination coefficient, ions recombining in their parent gas, and three-body recombination at moderate and high gas-densities. The manuscript also takes a look at precision measurements of electron transport coefficients and differential cr
Non vertical vibronic transitions in atom molecule collisions
International Nuclear Information System (INIS)
Klomp, U.C.
1982-01-01
This thesis is mainly devoted to an experimental and theoretical study on vibronic transitions which occur in collisions between an alkali atom and several diatomic molecules. An experimental study on electron and ion production in repulsive Cs-CO and Cs-N 2 collisions, and in Cs-NO and Cs-O 2 non-repulsive collisions is presented. The experimental data are discussed in terms of some existing models. It is clear that a new consistent theory on vibronic transitions is needed to explain the experimental data. Such a theory is presented, and it is shown that some existing models are limiting cases of this theory. An experimental study on the relative probabilities for ion and electron production in collisions between a Na, K or Cs atom and an O 2 or NO molecule is also described. These experiments suggest that the incident velocity of the alkali atoms has a predominant influence on the relative probabilities for ion and electron production in these collisions. (Auth.)
Theoretical atomic and molecular physics: Progress report, July 1, 1988 through June 30, 1989
International Nuclear Information System (INIS)
Lane, N.F.
1989-01-01
The theoretical atomic and molecular physics program at Rice University emphasizes fundamental questions regarding the structure and collision dynamics of various atomic and molecular systems with some attention given to atomic processes at surfaces. Our activities have been centered on continuing the projects initiated last year as well as beginning some new studies. These include: differential elastic and charge-transfer scattering and alignment and orientation of the excited electron cloud in ion-atom, atom-atom and ion-molecule collisions, using a molecular-orbital representation and both semiclassical and quantal methods; quenching of low-lying Rydberg states of a sodium atom in a collision with a rare-gas atom, using a semiclassical representation; so far, target atoms He, Ne and Ar have been studied; chemiionization and ion-pair formation in a collision of a Li atom with a metastable He atom at intermediate collision energies, using a combination of quantal and semi-classical methods; Penning ionization of alkali atoms Na and K, using advanced Cl and Stieltjes imaging methods; radiative and nonradiative charge-transfer in He + + H collisions at ultra-low collision energies, using quantal methods; elastic and inelastic processes in electron-molecule collisions, using the continuum-multiple-scattering method; and inelastic collision processes in dense, high-temperature plasmas. Selected highlights of our research progress are briefly summarized in this paper
International Nuclear Information System (INIS)
Gao Xiang; Cheng Cheng; Li Jiaming
2011-01-01
Scientific research fields for future energies such as inertial confinement fusion researches and astrophysics studies especially with satellite observatories advance into stages of precision physics. The relevant atomic data are not only enormous but also of accuracy according to requirements, especially for both energy levels and the collision data. The fine structure of high excited states of atoms and ions can be measured by precision spectroscopy. Such precision measurements can provide not only knowledge about detailed dynamics of electron-ion interactions but also a bench mark examination of the accuracy of electron-ion collision data, especially incorporating theoretical computations. We illustrate that by using theoretical calculation methods which can treat the bound states and the adjacent continua on equal footing. The precision spectroscopic measurements of excited fine structures can be served as stringent tests of electron-ion collision data. (authors)
Atomic collisions in fusion plasmas involving multiply charged ions
International Nuclear Information System (INIS)
Salzborn, E.
1980-01-01
A short survey is given on atomic collisions involving multiply charged ions. The basic features of charge transfer processes in ion-ion and ion-atom collisions relevant to fusion plasmas are discussed. (author)
Case studies in atomic collision physics
McDaniel, E W
1974-01-01
Case Studies in Atomic Physics III focuses on case studies on atomic and molecular physics, including atomic collisions, transport properties of electrons, ions, molecules, and photons, interaction potentials, spectroscopy, and surface phenomena. The selection first discusses detailed balancing in the time-dependent impact parameter method, as well as time-reversal in the impact parameter method and coupled state approximation. The text also examines the mechanisms of electron production in ion. Topics include measurement of doubly differential cross sections and electron spectra, direct Coul
Current ideas on ion-atom collisions
International Nuclear Information System (INIS)
Hansteen, J.M.
1975-09-01
A survey is given of recent developments in the understanding of ion-atom collisions, with particular emphasis on processes leading to ion-induced X-rays. The inner-shell Coulomb ionization phenomena are discussed at some length, with stress on the near-quantitative picture that appears to emerge from simple-minded models. The phenomenon of Pauli excitations and the formation of quasi-molecules leading to united atom phenomena are qualitatively reviewed together with a brief mention of target recoil effects and electron capture processes. Selected background phenomena of importance in interpreting experiments are touched upon, such as various types of bremsstrahlung production. Implications of the recently-discovered interplay between Coulomb-induced processes and united atom phenomena are especially mentioned. It is suggested that this branch of collision physics is now (1975) reaching a point where new notions and more advanced and unifying models are greatly needed. (auth)
Decay of long-lived autoionization atomic states in atom collisions
International Nuclear Information System (INIS)
Krakov, B.G.
1994-01-01
Radiationless decay of long-lived autoionization states of helium atoms in atom collisions is investigated. It is shown that the states may decay in atom collisions due to softening of the selection rules
Use of pseudopotentials in atom-atom (or molecule) collisions
International Nuclear Information System (INIS)
Pascale, J.
1985-09-01
Knowledge of interactions between ions, atoms or molecules is fundamental for interpretating or predicting collisional processes which may occur under various circumstances. The aim of this paper is to demonstrate the usefulness of using semiempirical effective interactions (more particularly, emphasis will be put on the pseudopotential approach) in the study of atom-atom (or molecule) collisions. We would like to show that if the semiempirical effective interactions are carefully defined, their use in molecular-structure calculations and in collision problems can give quite accurate results. We will limit our examples to one-electron systems. We consider the M-atom-He systems as a first example. For these systems, recent molecular-structure calculations have been carried out using an 1-dependent semiempirical pseudopotential approach and they have been tested against numerous experimental data in extensive calculations of cross sections for intra-and-inter-doublet transitions in the M-atom in collisions with He. Our second example will concern the M-H 2 systems, for which semiempirical pseudopotential molecular-structure calculations have been performed very recently using an one-electron two-center model. The results of these calculations are quite encouraging and we foresee the use of the pseudopotential approach in future studies of some reactive scattering processes
Atomic collisions under extreme conditions in space
International Nuclear Information System (INIS)
Itikawa, Yukikazu
1987-01-01
In space, atoms and molecules are often placed under the extreme conditions which are very difficult to be realized on Earth. For instance, extremely hot and dense plasmas are found in and around various stellar objects (e.g., neutron stars) on one hand and extremely cold and diffuse gases prevail in interstellar space on the other. There is so strong a magnetic field that electron clouds in atoms and molecules are distorted. The study of atomic collisions under the extreme conditions is not only helpful in understanding the astrophysical environment but also reveals new aspects of the physics of atoms and molecules. This paper is an invitation to the study. (References are not exhaustive but only provide a clue with which more details can be found.) (author)
Bibliography on electron transfer processes in ion-ion/atom/molecule collisions (updated 1993)
International Nuclear Information System (INIS)
Tawara, H.
1993-04-01
Following our previous compilations [IPPJ-AM-45 (1986), NIFS-DATA-7 (1990)], bibliographic information on experimental and theoretical studies on electron transfer processes in ion-ion/atom/molecule collisions is up-dated. The references published through 1980-1992 are included. For easy finding references for particular combination of collision partners, a simple list is also provided. (author) 1542 refs
Theoretical Calculations of Atomic Data for Spectroscopy
Bautista, Manuel A.
2000-01-01
Several different approximations and techniques have been developed for the calculation of atomic structure, ionization, and excitation of atoms and ions. These techniques have been used to compute large amounts of spectroscopic data of various levels of accuracy. This paper presents a review of these theoretical methods to help non-experts in atomic physics to better understand the qualities and limitations of various data sources and assess how reliable are spectral models based on those data.
[Electron transfer, ionization and excitation in atomic collisions
International Nuclear Information System (INIS)
1991-01-01
The research being carried out at Penn State by Winter and Alston addresses the fundamental atomic-collision processes of electron transfer, ionization, and excitation. Winter has focussed attention on intermediate and, more recently, higher collision energies -- proton energies of at least about 50 keV -- for which coupled-state approaches are appropriate. Alston has concentrated on perturbative approaches to symmetric ion-ion/atom collisions at high energies and to asymmetric collisions at intermediate to high energies
Effect of inelastic energy losses on development of atom-atom collision cascades
International Nuclear Information System (INIS)
Marinyuk, V.V.; Remizovich, V.S.
2001-01-01
The problem of influence of inelastic energy losses (ionization braking) of particles on the development of atom-atom collision cascades in infinite medium was studied theoretically. Main attention was paid to study of angular and energy distributions of primary ions and cascade atoms in the presence of braking. Analytical calculations were made in the assumption that single scattering of particles occurs by solid balls law, while the value of electron braking ability of a medium is determined by the Lindhard formula. It is shown that account of braking (directly when solving the Boltzmann transport equation) changes in principle the previously obtained angular and energy spectra of ions and cascade atoms. Moreover, it is the braking that is the determining factor responsible for anisotropy of angular distributions of low-energy primary ions and cascade atoms [ru
Particle fluxes in atomic collision cascades
International Nuclear Information System (INIS)
Sckerl, B.W.; Sigmund, P.; Vicanek, M.
1996-01-01
The flux of recoil atoms in atomic collision cascades induced by an ion beam or another source of energetic particles in a material is known to approach isotropy at kinetic energies far below the beam energy. A variety of irradiation effects can be explained satisfactorily on the basis of an isotropic particle flux, but significant deviations from this simple behavior are known to exist. While numerous examples have been studied by numerical simulation of cascade processes, the systematics is, by and large, unknown. The present study aims at general scaling properties and estimates of the magnitude of moderate deviations from isotropy and their spatial dependence for a wide range of beam and material parameters. Anisotropies introduced by crystal structure are ignored. Although it is well established that cascade anisotropy is related to the momentum of beam particles, previous attempts to quantify this relation have failed. We have found that there are two leading correction terms to the isotropic particle flux, a well-known term centered around the beam direction as a symmetry axis and a new term proportional to the gradient of the deposited-energy density. As a general rule the two contributions are either both significant or both negligible. Specific situations in which the gradient term dominates are, however, of considerable interest in applications. The parameters which characterize the anisotropy of collision cascades also determine the deposition of momentum, but the connection is less straightforward than asserted hitherto. General principles are first illustrated on the specific case of elastic-collision cascades under self-bombardment which contains the essentials. Thereafter several generalizations are made, including atomic binding forces and inelasticity as well as allowance for multicomponent materials. Application areas in mixing and sputtering are outlined. (au) 58 refs
Heavy particle atomic collisions in astrophysics: Beyond H and He targets
Energy Technology Data Exchange (ETDEWEB)
Stancil, P.C.; Krstic, P.S.; Schultz, D.R.
1998-06-01
The physical conditions relating to the emission of x-rays from Jovian and cometary atmospheres and to supernova ejecta are briefly described. Emphasis is placed on elucidating the relevance and importance of atomic collision processes, the availability of data, and the outstanding data needs for modeling these environments. Some preliminary theoretical studies of electron capture for important collisions systems, involving molecular and atomic metal targets, are presented.
Electronic excitation in ion-atom collisions
International Nuclear Information System (INIS)
Rodriguez, V.D.; Miraglia, J.E.
1988-01-01
Theoretical calculations for excitation of hydrogen-like atoms by ion impact at high and intermediate energies, are presented. Impulsive and eikonal wave functions are employed, both normalized. It is studied the dependence on energy and projectil charge (saturation) of cross sections, compared to experimental results. (A.C.A.S.) [pt
Correlated charge changing ion-atom collisions
International Nuclear Information System (INIS)
Bernstein, E.M.; Tanis, J.A.
1990-02-01
This report summarizes the progress and accomplishments in accelerator atomic physics research supported by DOE grant FG02-87ER13778 from August 15, 1987 through February 15, 1990. The general scope of this work involves the experimental investigation of fundamental atomic interactions in collisions of highly charged projectiles with neutral targets, with a particular emphasis on two-electron interactions. Inner-shell processes involving excitation, ionization, and charge transfer are investigated using, for the most part, coincidence techniques in which projectile charge-changing events are associated with x-ray emission, target recoil ions, or electron emission. Measurements were conducted using accelerators at the Lawrence Berkeley Laboratory (LBL), Argonne National Laboratory (ANL), Hahn-Meitner-Institut, Berlin (HMI), and Western Michigan University (WMU). The research described here has resulted in 34 published papers, 14 invited presentations at national and international meetings, and 31 contributed presentations. Brief summaries of work completed and work in progress are discussed in this paper
Storage ring to investigate cold unidimensional atomic collisions
International Nuclear Information System (INIS)
Marcassa, L. G.; Caires, A. R. L.; Nascimento, V. A.; Dulieu, O.; Weiner, J.; Bagnato, V. S.
2005-01-01
In this paper we employ a circulating ring of trapped atoms, that we have named the atomotron, to study cold collisions. The atomotron is obtained from a conventional magneto-optical trap when the two pairs of normally retroreflecting Gaussian laser beams in the x-y plane are slightly offset. Circulating stable atomic orbits then form a racetrack geometry in this plane. The circulating atom flux behaves similarly to an atomic beam with an average tangential velocity much greater than the transverse components, and is therefore suitable for one-dimensional atomic collision studies. Using the atomotron, we have investigated the polarization dependence of ultracold photoassociation collisions between Rb atoms circulating in the racetrack. The ability to investigate collisions in ultracold circulating atomic rings reveals alignment and orientation properties that are averaged away in ordinary three-dimensional magneto-optical trap collision processes
Measurements of scattering processes in negative ion-atom collisions
International Nuclear Information System (INIS)
Kvale, T.J.
1991-01-01
This research project is designed to provide measurements of various scattering processes which occur in H - collisions with atomic targets at intermediate energies. The immediate goal is to study elastic scattering, single electron detachment, and target excitation/ionization in H - scattering from noble gas targets. For the target inelastic processes, these cross sections are unknown both experimentally and theoretically. The present measurements will provide either experimentally-determined cross sections or set upper limits to those cross sections. In either case, these measurements will be stringent tests of our understanding in energetic negative ion collisions. This series of experiments required the construction of a new facility, and significant progress toward its operation has been realized during this period. The proposed research is described in this report. The progress on and the status of the apparatus is also detailed in this report
The screening length of interatomic potential in atomic collisions
International Nuclear Information System (INIS)
Yamamura, Y.; Takeuchi, W.; Kawamura, T.
1998-03-01
In computer studies on the interaction of charged particle with solids, many authors treat the nuclear collision by the Thomas-Fermi screened Coulomb potential. For better agreement with experiment, the screening length is modified sometimes. We investigate the theoretical background for the correction factor of the screening length in the interatomic potential which can be deduced from two steps. The first step is to select the correction factor of an isolated atom so as to match the average radius of the Thomas-Fermi electron distribution with that of the Hartree-Fock electron distribution, where we use the Clementi and Roetti's table. The second step is to determine the correction factor of the screening length of the interatomic potential by using a combination rule. The correction factors obtained for the screening length are in good agreement with those determined by the computer analysis of the Impact Collision Ion Scattering Spectroscopy (ICISS) data. (author)
Proceedings of the 2. Latin American Meeting on Atomic, Molecular and Electronic Collisions
International Nuclear Information System (INIS)
Montenegro, E.C.; Pinho, A.G. de; Souza, G.G.B. de.
1988-01-01
Annals of the II Latin American Meeting on Atomic, Molecular and Electronic Collisions. Over than 50 people from Latin America participated on this meeting giving talks on different subjects (theoretical and experimental), related to atomic and molecular physics, as well as, nuclear physics. (A.C.A.S.) [pt
Schweinzer, J; Brandenburg, R; Bray, [No Value; Hoekstra, R; Aumayr, F; Janev, RK; Winter, HP
New experimental and theoretical cross-section data for inelastic collision processes of Li atoms in the ground state and excited states (up to n = 4) with electrons, protons, and multiply charged ions have been reported since the database assembled by Wutte et al. [ATOMIC DATA AND NUCLEAR DATA
Theoretical atomic physics code development I: CATS: Cowan Atomic Structure Code
International Nuclear Information System (INIS)
Abdallah, J. Jr.; Clark, R.E.H.; Cowan, R.D.
1988-12-01
An adaptation of R.D. Cowan's Atomic Structure program, CATS, has been developed as part of the Theoretical Atomic Physics (TAPS) code development effort at Los Alamos. CATS has been designed to be easy to run and to produce data files that can interface with other programs easily. The CATS produced data files currently include wave functions, energy levels, oscillator strengths, plane-wave-Born electron-ion collision strengths, photoionization cross sections, and a variety of other quantities. This paper describes the use of CATS. 10 refs
Positronium collisions with atoms and molecules
Fabrikant, I. I.; Gribakin, G. F.; Wilde, R. S.
2017-11-01
We review recent theoretical efforts to explain observed similarities between electron-atom and positronium(Ps)-atom scattering which also extends to molecular targets. In the range of the projectile velocities above the threshold for Ps ionization (break-up) this similarity can be explained in terms of quasi-free electron scattering and impulse approximation. However, for lower Ps velocities more sophisticated methods should be developed. Our calculations of Ps scattering by heavy noble-gas atoms agree well with experiments at Ps velocities above the Ps ionization threshold. However, in contrast to electron scattering cross sections, at lower velocities they exhibit maxima whereas the experimental cross sections tend to decrease toward lower velocities indicating the same similarity with electron scattering cross section observed above the threshold. Our preliminary results for Ps-N2 scattering confirm experimental observation of a resonance similar to the ∏ g resonance in electron-N2 scattering.
The relationship between vacuum and atomic collisions in solids
International Nuclear Information System (INIS)
Carter, G.; Armour, D.G.
1980-01-01
Atomic collision events in solids are frequently stimulated by external irradiation with energetic heavy ions. This requires production, acceleration and manipulation of ion beams in vacuum system with ensuing problems arising in perturbations to ion beam quality from gas phase collisions. In addition the dynamic interaction between the gas phase and any surfaces at which atomic collisions are under investigation can lead to perturbation to the collision events by adsorbed contaminant. This review discusses both gas phase requirements for ion accelerators to minimize deleterious effects and outlines some of the processes which occur in atomic collisions due to the presence of adsorbed impurities. Finally it is shown how certain atomic collision processes involving elastic scattering may be employed to investigate surface adsorption and related effects. (author)
Theory of ion-atom collisions at high energy, I
International Nuclear Information System (INIS)
Watanabe, T.; Hino, K.
1985-01-01
Electron capture process by an ion from a neutral atom is one of the fundamental problems in the theory of atomic collision physics. Here a brief review is given mainly on the processes of non-radiative and radiative electron capture (charge transfer and REC). The main mechanism which govern the charge transfer process is introduced and the characteristic feature which is predicted by the theory is explained. As for the radiative electron capture process, after introducting the present theories, the full-quantum mechanical theoretical treatment is introduced. The theory leads a result which includes some inconsistency with formulae obtained by guage transformation. The relativistic quantum mechanical treatment is being tried in order to remove this inconsistency. The some results including mass and velocity dependence are reported and discussed. (author)
Electron-atom collisions in a laser field
International Nuclear Information System (INIS)
Ehlotzky, F.
1998-01-01
The present work is a report on recent progress made in our understanding of electron-atom collisions in a laser field. To some extent it is a continuation of a previous review covering a somewhat larger subject (Can. J. Phys. 63 (1985)). We shall discuss the present status of investigations in this field from the theoretical as well as experimental point of view but most of the report will be devoted to an analysis of the various approximation schemes used at present in this field to describe the different aspects of laser-assisted electron-atom interactions. As the table of contents shows, most of the work done so far is treating the atom as a spectator, described by a potential and only very little has been achieved over the years to include the atomic structure into consideration since the inclusion of these structure effects poses considerable computational problems. Since, for example, multiphoton ionization and its inverse process laser-assisted recombination may be considered as one half of a scattering process, it is quite natural that some of the theoretical techniques described here are also of interest for the treatment of other multiphoton processes not considered here since there are several other recent reviews available on these topics. (orig.)
Measurements of scattering processes in negative ion-atom collisions
International Nuclear Information System (INIS)
Kvale, T.J.
1992-01-01
This Technical Progress Report describes the progress made on the research objectives during the past twelve months. This research project is designed to provide measurements of various scattering processes which occur in H - collisions with atomic (specifically, noble gas and atomic hydrogen) targets at intermediate energies. These processes include: elastic scattering,single- and double-electron detachment, and target excitation/ionization. For the elastic and target inelastic processes where H - is scattered intact, the experimental technique of Ion Energy-Loss Spectroscopy (IELS) will be employed to identify the final target state(s). In most of the above processes, cross sections are unknown both experimentally and theoretically. The measurements in progress will provide either experimentally-determined cross sections or set upper limits to those cross sections. In either case, these measurements will be stringent tests of our understanding in energetic negative ion-atom collisions. This series of experiments required the construction of a new facility and the initial ion beam was accelerated through the apparatus in April 1991
On the utility and ubiquity of atomic collision physics
International Nuclear Information System (INIS)
Datz, S.
1989-01-01
This paper is divided into three parts. In the introduction, we discuss the history and makeup of ICPEAC. In the second part, we discuss the extent of applicability of atomic collision physics. In the third part, we chose one subject (dielectronic excitation) to show the interrelationship of various sub-branches of atomic collision physics. 28 refs., 14 figs
Polarization, alignment, and orientation in atomic collisions
Andersen, Nils
2017-01-01
This book covers polarization, alignment, and orientation effects in atomic collisions induced by electron, heavy particle, or photon impact. The first part of the book presents introductory chapters on light and particle polarization, experimental and computational methods, and the density matrix and state multipole formalism. Examples and exercises are included. The second part of the book deals with case studies of electron impact and heavy particle excitation, electron transfer, impact ionization, and autoionization. A separate chapter on photo-induced processes by new-generation light sources has been added. The last chapter discusses related topics and applications. Part III includes examples of charge clouds and introductory summaries of selected seminal papers of tutorial value from the early history of the field (1925 – 1975). The book is a significant update to the previous (first) edition, particularly in experimental and computational methods, the inclusion of key results obtained during the pas...
Correlation effects in electron-atom collisions
International Nuclear Information System (INIS)
Water, W. van de.
1981-01-01
This thesis deals with correlation effects occurring in the outer region of configuration space after an ionising collision. The motion of both escaping electrons in the external region is then fully determined by the long-range Coulomb forces. Firstly the threshold ionisation of hydrogen-like targets is studied. In that case two slow electrons attempt to escape from the Coulomb attraction of the residual ion. Secondly ionising collisions, with the formation of an autoionising state as an intermediate step, are considered. Such an autoionising state is in fact a quasi bound state of the neutral atom which lies imbedded in the ionisation continuum. The state decays after a certain lifetime by emission of an electron. Of all states to be formed in the reaction region only the autoionising state(s) under consideration is then relevant for this type of ionisation process. The energy positions of autoionising states usually are such that the electron to be ionised is ejected with a rather large velocity. The correlation in the outer region of configuration space then consists of the interaction of a fast ejected electron and, in case of threshold excitation of the autoionising state, a slow scattered electron. (Auth.)
Electron capture in proton collisions with alkali atoms as a three-body problem
International Nuclear Information System (INIS)
Avakov, G.V.; Blokhintsev, L.D.; Kadyrov, A.S.; Mukhamedzhanov, A.M.
1992-01-01
A previous paper proposed an approach to the calculation of electron transfer reactions in ion-atomic collisions based on the Faddeev three-body equations written in the Alt-Grassberger-Sandhas form. In the present work this approach is used to describe the electron capture in proton collisions with alkali atoms. The results of calculation of the total and partial cross sections for charge exchange in proton collisions with Li, Na, K and Rb atoms are presented. The calculated total cross sections are in good agreement with experiment for light target atoms. In going over to heavier targets, the theoretical total cross sections, while agreeing in form, tend to be larger than the experimental ones. The calculated partial cross sections for electron capture into the 2s state of the H atom are also in agreement with experiment. Some other partial cross sections were also calculated. (author)
Suppression of Zeeman relaxation in cold collisions of 2P1/2 atoms
International Nuclear Information System (INIS)
Tscherbul, T. V.; Dalgarno, A.; Buchachenko, A. A.; Lu, M.-J.; Weinstein, J. D.
2009-01-01
We present a combined experimental and theoretical study of angular momentum depolarization in cold collisions of 2 P atoms in the presence of an external magnetic field. We show that collision-induced Zeeman relaxation of Ga( 2 P 1/2 ) and In( 2 P 1/2 ) atoms in cold 4 He gas is dramatically suppressed compared to atoms in 2 P 3/2 states. Using rigorous quantum-scattering calculations based on ab initio interaction potentials, we demonstrate that Zeeman transitions in collisions of atoms in 2 P 1/2 electronic states occur via couplings to the 2 P 3/2 state induced by the anisotropy of the interaction potential. Our results suggest the feasibility of sympathetic cooling and magnetic trapping of 2 P 1/2 -state atoms, such as halogens, thereby opening up exciting areas of research in precision spectroscopy and cold-controlled chemistry.
A metastable helium trap for atomic collision physics
International Nuclear Information System (INIS)
Colla, M.; Gulley, R.; Uhlmann, L.; Hoogerland, M.D.; Baldwin, K.G.H.; Buckman, S.J.
1999-01-01
Full text: Metastable helium in the 2 3 S state is an important species for atom optics and atomic collision physics. Because of its large internal energy (20eV), long lifetime (∼8000s) and large collision cross section for a range of processes, metastable helium plays an important role in atmospheric physics, plasma discharges and gas laser physics. We have embarked on a program of studies on atom-atom and electron-atom collision processes involving cold metastable helium. We confine metastable helium atoms in a magneto-optic trap (MOT), which is loaded by a transversely collimated, slowed and 2-D focussed atomic beam. We employ diode laser tuned to the 1083 nm (2 3 S 1 - 2 3 P2 1 ) transition to generate laser cooling forces in both the loading beam and the trap. Approximately 10 million helium atoms are trapped at temperatures of ∼ 1mK. We use phase modulation spectroscopy to measure the trapped atomic density. The cold, trapped atoms can collide to produce either atomic He + or molecular He 2 + ions by Penning Ionisation (PI) or Associative Ionisation (AI). The rate of formation of these ions is dependant upon the detuning of the trapping laser from resonance. A further laser can be used to connect the 2 3 S 1 state to another higher lying excited state, and variation of the probe laser detuning used to measure interatomic collision potential. Electron-atom collision processes are studied using a monochromatic electron beam with a well defined spatial current distribution. The total trap loss due to electron collisions is measured as a function of electron energy. Results will be presented for these atomic collision physics measurements involving cold, trapped metastable helium atoms. Copyright (1999) Australian Optical Society
Innershell ionisation at small impactparameters in proton-atom collisions
International Nuclear Information System (INIS)
Duinker, W.
1981-01-01
This thesis concentrates on innershell ionisation in proton-atom collisions. An experiment on K-shell ionisation of argon is described, performed in a gasfilled collision chamber under single collision conditions. Further experiments with carbon and aluminium were performed, the K-shell vacancy production in the collision of protons with these atoms being detected through the measurement of Auger-electrons. A spectrometer with a large solid angle was specially constructed for this and its performance is described. K-shell ionisation accompanying nuclear (p,γ) reactions has also been measured using 26 Mg and 27 Al. (Auth./C.F.)
Collision processes of Li3+ with atomic hydrogen: cross section database
International Nuclear Information System (INIS)
Murakami, I.; Janev, R.K.; Kato, T.; Yan, J.; Sato, H.; Kimura, M.
2004-08-01
Using the available experimental and theoretical data, as well as established cross section scaling relationships, a cross section database for excitation, ionization and charge exchange in collisions of Li 3+ ion with ground state and excited hydrogen atoms has been generated. The critically assessed cross sections are represented by analytic fit functions that have correct asymptotic behavior both at low and high collision energies. The derived cross sections are also presented in graphical form. (author)
Bibliography on electron transfer processes in ion-ion/atom/molecule collisions. Updated 1997
International Nuclear Information System (INIS)
Tawara, H.
1997-04-01
Following our previous compilations (IPPJ-AM-45 (1986), NIFS-DATA-7 (1990), NIFS-DATA-20 (1993)), bibliographic information on experimental and theoretical studies on electron transfer processes in ion-ion/atom/molecule collisions is up-dated. The references published through 1954-1996 are listed in the order of the publication year. For easy finding of the references for a combination of collision partners, a simple list is provided. (author)
Bibliography on electron transfer processes in ion-ion/atom/molecule collisions, updated 1990
International Nuclear Information System (INIS)
Tawara, H.
1990-08-01
Following a previous compilation, new bibliographic information on experimental and theoretical studies on electron transfer processes in ion-ion/atom/molecule collisions is up-dated. The references published through 1989 are surveyed. For easy finding references for particular combination of collision partners, a simple list is also provided. Furthermore, for convenience, a copy of the previous compilation (IPPJ-AM-45 (1986)) is included. (author) 1363 refs
Lectures on ion-atom collisions from nonrelativistic to relativistic velocities
Eichler, Jörg
2005-01-01
Atomic collisions offer some unique opportunities to study atomic structure and reaction mechanisms in experiment and theory, especially for projectiles of high atomic number provided by modern accelerators. The book is meant as an introduction into the field and provides some basic theoretical understanding of the atomic processes occurring when a projectile hits another atom. It also furnishes the tools for a mathematical description, however, without going deeper into the technical details, which can be found in the literature given. With this aim, the focus is on reactions, in which only a single active electron participates. Collisional excitation, ionization and charge transfer are discussed for collision velocities ranging from slow to comparable to thespeed of light. For the highest projectile velocities, energy can be converted into mass, so that electron-positron pairs are created. In addition to the systematic treatment, a theoretical section specializes on electron-electroncorrelations and three...
Condensed matter applied atomic collision physics, v.4
Datz, Sheldon
1983-01-01
Applied Atomic Collision Physics, Volume 4: Condensed Matter deals with the fundamental knowledge of collision processes in condensed media.The book focuses on the range of applications of atomic collisions in condensed matter, extending from effects on biological systems to the characterization and modification of solids. This volume begins with the description of some aspects of the physics involved in the production of ion beams. The radiation effects in biological and chemical systems, ion scattering and atomic diffraction, x-ray fluorescence analysis, and photoelectron and Auger spectrosc
R-Matrix Theory of Atomic Collisions Application to Atomic, Molecular and Optical Processes
Burke, Philip George
2011-01-01
Commencing with a self-contained overview of atomic collision theory, this monograph presents recent developments of R-matrix theory and its applications to a wide-range of atomic molecular and optical processes. These developments include electron and photon collisions with atoms, ions and molecules required in the analysis of laboratory and astrophysical plasmas, multiphoton processes required in the analysis of superintense laser interactions with atoms and molecules and positron collisions with atoms and molecules required in antimatter studies of scientific and technologial importance. Basic mathematical results and general and widely used R-matrix computer programs are summarized in the appendices.
Theoretical Atomic Physics code development II: ACE: Another collisional excitation code
International Nuclear Information System (INIS)
Clark, R.E.H.; Abdallah, J. Jr.; Csanak, G.; Mann, J.B.; Cowan, R.D.
1988-12-01
A new computer code for calculating collisional excitation data (collision strengths or cross sections) using a variety of models is described. The code uses data generated by the Cowan Atomic Structure code or CATS for the atomic structure. Collisional data are placed on a random access file and can be displayed in a variety of formats using the Theoretical Atomic Physics Code or TAPS. All of these codes are part of the Theoretical Atomic Physics code development effort at Los Alamos. 15 refs., 10 figs., 1 tab
Positron collisions with helium and alkaline earth-like atoms
International Nuclear Information System (INIS)
Campbell, C.P.
1998-09-01
This doctoral thesis is subdivided into: 1. Theory of positron collisions with helium and alkaline earth-like atoms, 2. Positron collisions with helium, magnesium, calcium, zinc, 3. Intercomparison of positron scattering by all those elements. The appendix of this work gives details of the numerical calculations and expands on the wavefunctions used
Application of a distorted wave model to electron capture in atomic collisions
International Nuclear Information System (INIS)
Deco, G.R.; Martinez, A.E.; Rivarola, R.D.
1988-01-01
In this work, it is presented the CDW-EIS approximation applied to the description of processes of electron capture in ion-atom collisions. Differential and total cross sections are compared to results obtained by other theoretical models, as well as, to experimental data. (A.C.A.S.) [pt
Electron capture in slow collisions of multicharged ions with hydrogen atoms using merged beams
International Nuclear Information System (INIS)
Havener, C.C.; Nesnidal, M.P.; Porter, M.R.; Phaneuf, R.A.
1991-01-01
Absolute total electron-capture cross-section mesurements are reported for collisions of O 3+ and O 4+ with atomic hydrogen in the energy range 1-1000 eV /amu using merged beams. The data are compared with available coupled-states theoretical calculations. (orig.)
Theoretical interpretation of high-energy nuclear collisions
International Nuclear Information System (INIS)
Fai, G.
1992-06-01
Nuclear collisions are interpreted theoretically. The nuclear equation of state is studied in a wide energy range. Subnucleonic degrees of freedom are invoked at high energy densities and at short length-scales. Questions of dynamical collision simulations are investigated. Direct support is provided for experiment in the form of collaborative projects. The major objective of this nuclear theory program is a better understanding of the properties of strongly interacting matter on the nuclear energy scale, as manifested in high-energy heavy-ion collisions
Theoretical interpretation of data from high-energy nuclear collisions
International Nuclear Information System (INIS)
Fai, G.
1988-09-01
Nuclear collision data at energies ranging from medium to relativistic are interpreted theoretically. The major objective is a better understanding of high-energy heavy-ion collisions, with particular emphasis on the properties of excited nuclear matter. Further progress towards a satisfactory description of excited subsaturation nuclear matter is achieved. The mean free path of a nucleon in nuclear matter, which is a critical parameter in assessing the applicability of certain nuclear collision models, is investigated. Experimental information is used together with theoretical concepts in collaborations with experimentalists in order to learn about the reaction mechanism and about excited nuclear matter properties. In the framework of a more strictly theoretical program development, subnuclear degrees of freedom and nonlinear phenomena in model field theories are studied
Comparison of universal potentials for atomic collisions in solids
International Nuclear Information System (INIS)
Cupini, E.; Ventura, A.
1984-01-01
Elastic collisions in solid of ions having kinetic energy greater than about ten eV are fairly well described by the binary collision approximation, where screened coulomb potentials are often used. The aim of the present work is to compare calculations based on the Moliere potential and on the more realistic Biersack-Ziegler potential for atomic collisions in solids having an atomic number between Z=6 and Z=79 with experimental data. A reasonable agreement with data can be obtained, in general, by means of both potentials provided that the screening lenght is suitably modified in the Moliere case, while no parameter adjustment is needed in the Biersack-Ziegler potential
Gas lasers applied atomic collision physics, v.3
McDaniel, E W
1982-01-01
Applied Atomic Collision Physics, Volume 3: Gas Lasers describes the applications of atomic collision physics in the development of many types of gas lasers. Topics covered range from negative ion formation in gas lasers to high-pressure ion kinetics and relaxation of molecules exchanging vibrational energy. Ion-ion recombination in high-pressure plasmas is also discussed, along with electron-ion recombination in gas lasers and collision processes in chemical lasers.Comprised of 14 chapters, this volume begins with a historical summary of gas laser developments and an overview of the basic ope
Orbital alignment effects in near-resonant Rydberg atoms-rare gas collisions
International Nuclear Information System (INIS)
Isaacs, W.A.; Morrison, M.A.
1993-01-01
Recent experimental and theoretical studies of near-resonant energy transfer collisions involving rare-gas atoms and alkali or alkaline earth atoms which have been initially excited to an aligned state via one or more linearly polarized rasters have yielded a wealth of insight into orbital alignment and related effects. We have extended this inquiry to initially aligned Rydberg states, examining state-to-state and alignment-selected cross sections using quantum collision theory augmented by approximations appropriate to the special characteristics of the Rydberg state (e.g., the quasi-free-electron model and the impulse approximation)
Simultaneous electron capture and excitation in ion-atom collisions
International Nuclear Information System (INIS)
Tanis, J.A.; Bernstein, E.M.; Graham, W.G.; Clark, M.; Shafroth, S.M.; Johnson, B.M.; Jones, K.; Meron, M.
1982-01-01
A review of recent efforts to observe simultaneous electron capture-and-K-shell excitation in ion-atom collisions is presented. This process which has been referred to as resonant-transfer-and-excitation (RTE), is qualitatively analogous to dielectronic recombination (inverse Auger transition) in free-electron-ion collisions, and, hence, is expected to be resonant. Experimentally, events having the correct signature for simultaneous capture-and-excitation are isolated by detecting projectile K x rays in coincidence with ions which capture a single electron. In a recent experiment involving 70-160 MeV S 13+ ions incident on Ar, a maximum was observed in the yield of projectile K x rays associated with electron capture. This maximum is attributed to simultaneous capture - and excitation. The position (120 MeV) and width (60 MeV) of the observed maximum are in good agreement with theoretical calculations. The data indicate that RTE is an important mechanism for inner-shell vacancy production in the energy range studied
US-Japan Workshop on atomic-collision data for fusion
International Nuclear Information System (INIS)
Crandall, D.H.; Hafford, P.M.; Itikawa, Y.
1981-04-01
This report, containing abstracts of each of the presentations and discussions, includes: brief talks on the applications of atomic data in tokamaks and in inertial confinement; reviews of the specific atomic collisions projects for fusion in Japan and the United States; discussions of how the data centers operate and manner of exchanging data; brief reviews of the status of electron-ion scattering and ion-atom scattering; discussions of criteria to be used in evaluating and selecting both experimental and theoretical data in these two areas; comparisons of data selected for each of six specific collision reactions which were evaluated by both groups prior to the workshop; brief reviews of activities in the related areas of atomic structure and plasma wall interactions; and a decision to pursue a joint or collaborative compilation of recommended cross sections for oxygen ions for electron impact excitation and electron capture from atomic hydrogen
Vibronic excitation in atom molecule collisions
International Nuclear Information System (INIS)
Kleyn, A.W.
1980-01-01
The molecular beam machine used for the experiments is described. Three setups are discussed: one to measure total cross sections for negative ion formation in Na, K, Cs + O 2 collisions (3-6000 eV); another to measure differential cross sections for neutral scattering and positive ion formation in K, Cs + O 2 and K + Br 2 collisions (20 - 150 eV); and a third to measure energy-loss spectra for neutral K scattered at a certain angle after a collision with O 2 or Br 2 (20 - 150 eV). (Auth.)
Single-collision studies of hot atom energy transfer and chemical reaction
International Nuclear Information System (INIS)
Valentini, J.J.
1991-01-01
This report discusses research in the collision dynamics of translationally hot atoms, with funding with DOE for the project ''Single-Collision Studies of Hot Atom Energy Transfer and Chemical Reaction,'' Grant Number DE-FG03-85ER13453. The work reported here was done during the period September 9, 1988 through October 31, 1991. During this period this DOE-funded work has been focused on several different efforts: (1) experimental studies of the state-to-state dynamics of the H + RH → H 2 R reactions where RH is CH 4 , C 2 H 6 , or C 3 H 8 , (2) theoretical (quasiclassical trajectory) studies of hot hydrogen atom collision dynamics, (3) the development of photochemical sources of translationally hot molecular free radicals and characterization of the high resolution CARS spectroscopy of molecular free radicals, (4) the implementation of stimulated Raman excitation (SRE) techniques for the preparation of vibrationally state-selected molecular reactants
Feshbach resonances in cold collisions of potassium atoms
International Nuclear Information System (INIS)
Bambini, A.; Geltman, S.
2002-01-01
In this paper we briefly review the basic steps that allow the calculation of the scattering length in the collision of two alkali-metal atoms in a well defined magnetic polarization state, and in the presence of a static magnetic field. Calculations are actually done for the low-field seeking state F=1, μ F =-1 of bosonic potassium atoms. The electrostatic potentials obtained through Rydberg-Klein-Rees data are connected to a dispersive, long range tail in which the dominant dipole-dipole C 6 term may take different values within a specified range. We show the occurrence of Feshbach resonances in the ultra cold collision of two identical atoms, belonging either to the bosonic species 39 K or 41 K. Our results demonstrate that there is a range of C 6 values for which the collision of two 39 K atoms displays a single resonance, while for other values of C 6 no resonance occurs. On the other hand, Feshbach resonances are present in the collision of two 41 K atoms for almost all values of the dispersion coefficient C 6 in that range. We also show the origin of the different types of Feshbach resonances that occur in the cold collision of two 41 K atoms. The detection of such resonances can help establish the actual value of the dispersive coefficient
International Nuclear Information System (INIS)
de Prunele, E.
1983-01-01
The Faddeev-Watson expansion (FWE) for the T operator is applied to the study of thermal collisions between Rydberg atom and neutral atom. These collisions are considered as a three-body problem (the perturber, the Rydberg electron, and its parent core) and it is assumed, as already done in most theoretical works dealing with Rydberg-atom--atom collisions, that the core-perturber interaction can be neglected. Then the evaluation of the FWE first- and second-order terms is made tractable by using an appropriate separable potential for the Rydberg-electron--perturber interaction. The evaluation of the second-order term allows us to estimate the importance of taking into account explicitly the Rydberg-electron--core interaction in the expression of the (three-body) T operator for the thermal collisions considered. Detailed calculations for the process Rb(n, l = 0)+He →Rb(n',l')+He are presented and discussed. The FWE second-order term has been evaluated for the first time by taking the (two-body) t operator associated with the Rydberg atom (valence electron plus parent core) as the Coulomb potential. The contribution of the FWE second-order term to the scattering amplitude decreases as n increases and is found especially significant when both the momentum transfers involved in the collision are large and the values of l and l' are small
Multiple-electron processes in fast ion-atom collisions
International Nuclear Information System (INIS)
Schlachter, A.S.
1989-03-01
Research in atomic physics at the Lawrence Berkeley Laboratory Super-HILAC and Bevalac accelerators on multiple-electron processes in fast ion-atom collisions is described. Experiments have studied various aspects of the charge-transfer, ionization, and excitation processes. Examples of processes in which electron correlation plays a role are resonant transfer and excitation and Auger-electron emission. Processes in which electron behavior can generally be described as uncorrelated include ionization and charge transfer in high-energy ion-atom collisions. A variety of experiments and results for energies from 1 MeV/u to 420 MeV/u are presented. 20 refs., 15 figs
International Nuclear Information System (INIS)
Seo, M; Shimamura, T; Furutani, T; Hasuo, M; Bahrim, C; Fujimoto, T
2003-01-01
Disalignment of neon excited atoms in the fine-structure 2p i levels (in Paschen notation) of the 2p 5 3p configuration is investigated in a helium-neon glow discharge at temperatures between 15 and 77 K. At several temperatures, we plot the disalignment rate as a function of the helium atom density for Ne* (2p 2 or 2p 7 ) + He(1s 2 ) collisions. The slope of this dependence gives the disalignment rate coefficient. For both collisions, the experimental data for the disalignment rate coefficient show a more rapid decrease with the decrease in temperature below 40 K than our quantum close-coupling calculations based on the model potential of Hennecart and Masnou-Seeuws (1985 J. Phys. B: At. Mol. Phys. 18 657). This finding suggests that the disalignment cross section rapidly decreases below a few millielectronvolts, in disagreement with our theoretical quantum calculations which predict a strong increase below 1 meV. The disagreement suggests that the long-range electrostatic potentials are significantly more repulsive than in the aforementioned model
Low energy collisions of spin-polarized metastable argon atoms with ground state argon atoms
Taillandier-Loize, T.; Perales, F.; Baudon, J.; Hamamda, M.; Bocvarski, V.; Ducloy, M.; Correia, F.; Fabre, N.; Dutier, G.
2018-04-01
The collision between a spin-polarized metastable argon atom in Ar* (3p54s, 3P2, M = +2) state slightly decelerated by the Zeeman slower-laser technique and a co-propagating thermal ground state argon atom Ar (3p6, 1S0), both merged from the same supersonic beam, but coming through adjacent slots of a rotating disk, is investigated at the center of mass energies ranging from 1 to 10 meV. The duration of the laser pulse synchronised with the disk allows the tuning of the relative velocity and thus the collision energy. At these sub-thermal energies, the ‘resonant metastability transfer’ signal is too small to be evidenced. The explored energy range requires using indiscernibility amplitudes for identical isotopes to have a correct interpretation of the experimental results. Nevertheless, excitation transfers are expected to increase significantly at much lower energies as suggested by previous theoretical predictions of potentials 2g(3P2) and 2u(3P2). Limits at ultra-low collisional energies of the order of 1 mK (0.086 μeV) or less, where gigantic elastic cross sections are expected, will also be discussed. The experimental method is versatile and could be applied using different isotopes of Argon like 36Ar combined with 40Ar, as well as other rare gases among which Krypton should be of great interest thanks to the available numerous isotopes present in a natural gas mixture.
International Nuclear Information System (INIS)
Ito, Rinsuke; Tabata, Tatsuo; Shirai, Toshizo; Phaneuf, R.A.
1995-07-01
Analytic expressions fitted to Barnett's recommended data are given for the collision cross sections of H, H 2 , He, and Li atoms and ions colliding with atoms and molecules. The collisions treated are ionization collisions, charge-production collisions, electron-loss collisions, and electron detachment collisions. The analytic expressions use the semiempirical functional forms proposed by Green and McNeal and some modified forms to make it possible not only to interpolate but also to extrapolate the recommended data. (author)
Energy dependence of the ionization of highly excited atoms by collisions with excited atoms
International Nuclear Information System (INIS)
Shirai, T.; Nakai, Y.; Nakamura, H.
1979-01-01
Approximate analytical expressions are derived for the ionization cross sections in the high- and low-collision-energy limits using the improved impulse approximation based on the assumption that the electron-atom inelastic-scattering amplitude is a function only of the momentum transfer. Both cases of simultaneous excitation and de-excitation of one of the atoms are discussed. The formulas are applied to the collisions between two excited hydrogen atoms and are found very useful for estimating the cross sections in the wide range of collisions energies
Theoretical interpretation of high-energy nuclear collisions
International Nuclear Information System (INIS)
Fai, G.
1991-07-01
Nuclear collision data are interpreted theoretically. The nuclear equation of state is investigated with particular emphasis on momentum-dependent mean field effects. Subnucleonic degrees of freedom are invoked at high energies and densities, and a short length-scales. A nontopological soliton model for baryons is studied in which effective meson fields are generated from extended quark-antiquark pairs. The major objective of this nuclear theory project is a better understanding of the properties of strongly interacting matter on the nuclear energy scale, as manifested in high-energy heavy-ion collisions
[Electron transfer, ionization, and excitation in atomic collisions
International Nuclear Information System (INIS)
1992-01-01
Fundamental processes of electron transfer, ionization, and excitation in ion-atom and ion-ion collisions are studied. Attention is focussed on one- and two-electron systems and, more recently, quasi-one-electron systems whose electron-target-ion core can be accurately modeled by one-electron potentials. The basic computational approaches can then be taken with few, if any, approximations, and the underlying collisional mechanisms can be more clearly revealed. At intermediate collision energies (e.g., proton energies for p-He + collisions on the order of 100 kilo-electron volts), many electronic states are strongly coupled during the collision, a coupled-state approach, such as a coupled-Sturmian-pseudostate approach, is appropriate. At higher collision energies (million electron-volt energies) the coupling is weaker with, however, many more states being coupled together, so that high-order perturbation theory is essential
Role of atom--atom inelastic collisions in two-temperature nonequilibrium plasmas
International Nuclear Information System (INIS)
Kunc, J.A.
1987-01-01
The contribution of inelastic atom--atom collisions to the production of electrons and excited atoms in two-temperature (with electron temperature T/sub e/, atomic temperature T/sub a/, and atomic density N/sub a/), steady-state, nonequilibrium atomic hydrogen plasma is investigated. The results are valid for plasmas having large amounts of atomic hydrogen as one of the plasma components, so that e--H and H--H inelastic collisions and interaction of these atoms with radiation dominate the production of electrons and excited hydrogen atoms. Densities of electrons and excited atoms are calculated in low-temperature plasma, with T/sub e/ and T/sub a/≤8000 K and 10 16 cm -3 ≤N/sub a/≤10 18 cm -3 , and with different degrees of the reabsorption of radiation. The results indicate that inelastic atom--atom collisions are important for production of electrons and excited atoms in partially ionized plasmas with medium and high atomic density and temperatures below 8000 K
Applied atomic collision physics. Vol. 2
International Nuclear Information System (INIS)
Barnett, C.F.; Harrison, M.F.A.
1984-01-01
This volume brings together papers on atomic processes that have been important in fusion research during the past 30 years. Topics include: Atomic radiation from low density plasma; Properties of magnetically confined plasmas in tokomaks; Diagnostics and; Heating by energetic particles. Each chapter includes references
Activities of the JILA Atomic Collisions Cross Sections Data Center
International Nuclear Information System (INIS)
Gallagher, J.W.
1983-01-01
The JILA Atomic Collisions Cross Sections Data Center compiles, critically evaluates, and reviews cross sections and rates for low energy (<100 keV) collisions of electrons, photons, and heavy particles with atoms, ions, and simple molecules. Reports are prepared which provide easily accessible recommended data with error limits, list the fundamental literature related to specific topics, identify regions where data are missing, and point out inconsistencies in existing data. The general methodology used in producing evaluated compilations is described. Recently completed projects and work in progress are reported
Emission of H- fragments from collisions of OH+ ions with atoms and molecules
International Nuclear Information System (INIS)
Juhasz, Z.; Sulik, B.
2010-01-01
- ion is created when an H center is detached from the projectile in collision with one of the heavy centers of the target. Ions in the second peak (lower panel) originate from close binary collisions between H atoms of the target and the O atoms of the projectile. We are working on absolute cross sections as well as theoretical models for understanding these, somewhat unexpected processes. Acknowledgements. This work was supported by the Transnational Access ITS-LEIF, granted by the European Project HPRI-CT-2005-026015, and the Hungarian National Science Foundation OTKA (No. K73703).
Uncertainty estimates for theoretical atomic and molecular data
International Nuclear Information System (INIS)
Chung, H-K; Braams, B J; Bartschat, K; Császár, A G; Drake, G W F; Kirchner, T; Kokoouline, V; Tennyson, J
2016-01-01
Sources of uncertainty are reviewed for calculated atomic and molecular data that are important for plasma modeling: atomic and molecular structures and cross sections for electron-atom, electron-molecule, and heavy particle collisions. We concentrate on model uncertainties due to approximations to the fundamental many-body quantum mechanical equations and we aim to provide guidelines to estimate uncertainties as a routine part of computations of data for structure and scattering. (topical review)
Fast numerical calculations of ion-atom collisions
International Nuclear Information System (INIS)
Reading, J.F.; Ford, A.L.; Becker, R.L.
1979-01-01
When an ion impinges on an atom, the cross sections for electronic transitions can be described in the independent electron model by functions of single electron amplitudes. A single centered expansion of the time-dependent wave function of an electron about the heavier nucleus, with charge Z/sub N/, is shown to be moderately successful in explaining the dependence of K-shell hole production on the charge, Z/sub p/, of the projectile. However, capture of electrons by the projectile is important for a complete understanding and can be incorporated, in principle, in the single-center approach by evaluation of a transition matrix element involving a final state on the projectile. This is not an easy theoretical problem even in an asymmetric (Z/sub p/ much less than Z/sub N/) collision, because long times are involved which aggravate the inadequacies of a coupled-state calculation where the continuum is replaced by a discrete set of pseudostates. Nevertheless a method was devised which allows convergence in the truncated expansion of Hilbert states. Comparisons are made to experiment. Future developments are discussed
Correlations and polarization in electronic and atomic collisions and (e,2e) reactions
International Nuclear Information System (INIS)
Teubner, P.J.O.; Weigold, E.
1992-01-01
This volume contains the invited papers presented at the Sixth International Symposium on Correlations and Polarization in Electronic and Atomic collisions and (e,2e) Reactions held at Flinders University, Adelaide, Australia from 18-21 July, 1991. This symposium was a satellite meeting to the XVII International Conference on the Physics of Electronic and Atomic Collisions (ICPEAC) held in Brisbane, Australia. It follows a tradition of satellite meetings on (e,2e) collisions and on correlation and polarization in electronic and atomic collisions held in association with previous ICPEACs. The subject matter of this symposium covered that of the previous meeting at Hoboken, USA (1989) on correlation and polarization phenomena as well as that of the previous meeting at the University of Maryland (1989) on (e,2e) collisions. In addition it extended the scope to include some discussion of (e,3e), (γ,eγ) and (γ,2γ) coincidence measurements. The discussion of the current rapid advances in coincidence experiments, correlations and polarization measurements and related theoretical developments brought together 100 scientist from many countries with broad interdisciplinary backgrounds. The symposium stressed the common threads weaving through all these areas of research. (Author)
Multiple electron capture in close ion-atom collisions
International Nuclear Information System (INIS)
Schlachter, A.S.; Stearns, J.W.; Berkner, K.H.
1989-01-01
Collisions in which a fast highly charged ion passes within the orbit of K electron of a target gas atom are selected by emission of a K x-ray from the projectile or target. Measurement of the projectile charge state after the collision, in coincidence with the K x-ray, allows measurement of the charge-transfer probability during these close collisions. When the projectile velocity is approximately the same as that of target electrons, a large number of electrons can be transferred to the projectile in a single collision. The electron-capture probability is found to be a linear function of the number of vacancies in the projectile L shell for 47-MeV calcium ions in an Ar target. 18 refs., 9 figs
ECR-based atomic collision physics research at ORNL
International Nuclear Information System (INIS)
Meyer, F.W.; Bannister, M.E.; Hale, J.W.; Havener, C.C.
1997-01-01
After a brief summary of the present capability and configuration of the ORNL Multicharged Ion Research Facility (MIRF), and of upcoming upgrades and expansions, the presently on-line atomic collisions experiments are described. In the process, the utility of intense, cw ion beams extracted from ECR ion sources for low-signal rate experiments is illustrated
Recent investigations on electronic capture in atomic collisions
International Nuclear Information System (INIS)
Rivarola, R.D.
1988-01-01
In this work, electron capture processes in ion-atom collisions at various impact energy ranges are dicussed: i) intermediate non-relativistic energy; ii) high energy; iii) high relativistic energy. Much attention is given to the development and use of distorted wave models. (A.C.A.S.) [pt
Bibliography of atomic and molecular excitation in heavy particle collisions, 1950--1975
International Nuclear Information System (INIS)
Hawthorne, S.W.; Thomas, E.W.; Barnett, C.F.; Crandall, D.H.; Gilbody, H.B.; Kirkpatrick, M.I.; McDaniel, E.W.; Phaneuf, R.A.
1979-02-01
This annotated bibliography lists published work on atomic and molecular excitation in heavy particle collisions for the period 1950 to 1975. Sources include scientific journals, abstract compilations, conference proceedings, books, and reports. The bibliography is arranged alphabetically by author. Each entry indicates whether the work was experimental or theoretical, what energy range was covered, and what reactants were investigated. Following the bibliographical listing are indexes of reactions and authors
Single Atoms Preparation Using Light-Assisted Collisions
Directory of Open Access Journals (Sweden)
Yin Hsien Fung
2016-01-01
Full Text Available The detailed control achieved over single optically trapped neutral atoms makes them candidates for applications in quantum metrology and quantum information processing. The last few decades have seen different methods developed to optimize the preparation efficiency of single atoms in optical traps. Here we review the near-deterministic preparation of single atoms based on light-assisted collisions and describe how this method can be implemented in different trap regimes. The simplicity and versatility of the method makes it feasible to be employed in future quantum technologies such as a quantum logic device.
Mesonic atom production in high-energy nuclear collisions
International Nuclear Information System (INIS)
Wakai, M.; Bando, H.; Sano, M.
1987-08-01
The production probability of π-mesonic atom in high-energy nuclear collisions is estimated by a coalescence model. The production cross section is calculated for p + Ne and Ne + Ne systems at 2.1 GeV/A and 5.0 GeV/A beam energy. It is shown that nuclear fragments with larger charge numbers have the advantage in the formation of π-mesonic atoms. The cross section is proportional to Z 3 and of the order of magnitude of 1 ∼ 10 μb in all the above cases. The production cross sections of K-mesonic atoms are also estimated. (author)
Atom capture and loss in ion molecule collisions
International Nuclear Information System (INIS)
Breinig, M.; Lasley, S.E.; Gaither, C.C. III.
1985-01-01
Progress is reported in measuring the energy and angular distribution of protons emerging with velocity close to the beam velocity from the target region when Ar + beams collide with a CH 4 target and ArH + beams collide with a He target at asymptotically high speeds. The protons result from the transfer of a target constituent to the projectile (atom capture) or from the dissociation of the projectile molecule in the collision (atom loss). For atom capture processes the Thomas peak is clearly observed. 10 refs., 3 figs
Atom collisions in a strong electromagnetic field
International Nuclear Information System (INIS)
Smirnov, V.S.; Chaplik, A.V.
1976-01-01
It is shown that the long-range part of interatomic interaction is considerably altered in a strong electromagnetic field. Instead of the van der Waals law the potential asymptote can best be described by a dipole-dipole R -3 law. Impact broadening and the line shift in a strong nonresonant field are calculated. The possibility of bound states of two atoms being formed in a strong light field is discussed
Charge changing collision cross sections of atomic ions
International Nuclear Information System (INIS)
Bliman, S.; Dousson, S.; Geller, R.; Jacquot, B.; Van Houtte, D.
1980-05-01
A device has been built to measure charge changing cross sections of atomic ions. It consists of an E.C.R. ion source (Micromafios) that delivers oxygen ions up to charge + 8, argon ions up to charge + 13. The ion source potential may be varied from 1 up to 10 kVolts. A first magnet is used to charge analyze the extracted beam. For a given charge state, the ion beam is passed in a collision cell whose pressure may be varied. The ions undergoing collisions on the target are analyzed by a second magnet and collected. The single collision condition is checked. Different collisions are considered: 1- Charge exchange collisions of argon ions with charge 2<=Z<=12 on argon. Cross sections for capture of 1, 2 and 3 electrons are given. 2- Stripping of argon ions (1<=Z<=4) on argon atoms. 3- Charge exchange of oxygen ions (2<=Z<=8) colliding on deuterium. One and two electron capture cross sections are presented
Theoretical development of atomic structure: Past, present and future
International Nuclear Information System (INIS)
Tiwary, S.N.
1994-11-01
Theoretical development of atomic structure is briefly discussed. The role of correlation, relativity, quantum electrodynamic (QED), finite nuclear size (FNS) and parity nonconservation (PNC) in high precision theoretical investigation of properties of atomic and ionic systems is demonstrated. At present, we do not have a comprehensive and practical atomic structure theory which accounts all these physical effects on an equal footing. Suggestions are made for future directions. (author). 108 refs, 5 figs, 9 tabs
Ion-atom collisions for materials study
International Nuclear Information System (INIS)
Loaiza S, N.S.
1976-01-01
The diffusion process of silver in aluminium was studied in thin films as a function of temperature, the most important characteristics of dispersor atoms that technique permits us to study are the atomic mass and depth into the solid. This is possible because when a sample is bombarded with ions of a given energy, the ions are dispersed with different energies for different masses and depths, hence this technique is a useful instrument for research into the physical processes which ocurr in thin films up to depths of several microns, one of the results obtained after the bombardment of the target with protons having an energy of 650 KeV was that when the target reached a temperature of approximately 40 0 C, 80 0 C, 110 0 C and 160 0 C during 15 minutes and the spectra of heated and unheated targets were compared it was found that the aluminium peak, the valley, the silver peak and the peak over the silver peak change with the increase of temperature and tend to get mixed, that is to say that silver and the aluminium are diffusing themselves. The analysis is essentially qualitative with this technique we ca also measure the thickness of thin films, the silver thickness was measured (3320A). (author)
TRIDYN - binary collision simulation of atomic collisions dynamic composition changes in solids
International Nuclear Information System (INIS)
Moeller, W.; Eckstein, W.
1988-05-01
The report deals with the computerized simulation of the following problem: a beam of fast ions entering a solid substance is slowed down and scattered due to electronic interaction and nuclear collisions. Together with created recoil atoms local compositional changes are produced. For large fluences collisional mixing is caused in layered substances. (BHO)
Learning from numerical calculations of ion-atom collisions
International Nuclear Information System (INIS)
Reading, J.F.; Ford, A.L.; Martir, M.; Becker, R.L.
1981-01-01
Violent collision of two independent many-particle systems, victims, are discussed in the atomic sphere. The asymmetric region where the charge of the projectile Z/sub p/ is less than the target nuclear charge Z/sub n/ is now well understood though interesting details still need to be worked out. Negatively charged projectiles offer a new illustration of Fadeev re-arrangement collisions. Multi-electron coherence effects illustrate the richness of the field but a symmetric (Z/sub p/ approx. Z/sub n/) collision treatment is needed. A new one and a half center expansion method promises a solution to this problem. Future areas of interest are discussed
Learning from numerical calculations of ion-atom collisions
International Nuclear Information System (INIS)
Reading, J.F.; Ford, A.L.; Martir, M.
1982-01-01
Violent collisions of two independent many-particle systems, victims, are discussed in the atomic sphere. The asymmetric region where the charge of the projectile Zsub(p) is less than the target nuclear charge Zsub(N) is now well understood, though interesting details still need to be worked out. Negatively charged projectiles offer a new illustration of Fadeev re-arrangement collisions. Multi-electron coherence effects illustrate the richness of the field but a symmetric (Zsub(p) approx. equal to Zsub(N)) collision treatment is needed. A new one-and-a-half center expansion method promises a solution to this problem. Future areas of interest are discussed. (orig.)
Atomic-orbital expansion model for describing ion-atom collisions at intermediate and low energies
International Nuclear Information System (INIS)
Lin, C.D.; Fritsch, W.
1983-01-01
In the description of inelastic processes in ion-atom collisions at moderate energies, the semiclassical close-coupling method is well established as the standard method. Ever since the pioneering work on H + + H in the early 60's, the standard procedure is to expand the electronic wavefunction in terms of molecular orbitals (MO) or atomic orbitals (AO) for describing collisions at, respectively, low or intermediate velocities. It has been recognized since early days that traveling orbitals are needed in the expansions in order to represent the asymptotic states in the collisions correctly. While the adoption of such traveling orbitals presents no conceptual difficulties for expansions using atomic orbitals, the situation for molecular orbitals is less clear. In recent years, various forms of traveling MO's have been proposed, but conflicting results for several well-studied systems have been reported
Formulating analytic expressions for atomic collision cross sections
International Nuclear Information System (INIS)
Tabata, Tatsuo; Kubo, Hirotaka; Sataka, Masao
2003-08-01
Methods to formulate analytic expression for atomic collision cross sections as a function of projectile energy are described on the basis of the experiences of the data compilation work for more than 20 years. Topics considered are the choice of appropriate functional forms for the expressions and optimization of adjustable parameters. To make extrapolation possible, functions to be used should have the form with reasonable asymptotic behavior. In this respect, modified Green-McNeal formulas have been found useful for various atomic collision cross sections. For ionization processes, a modified Lotz formula has often given a good fit. The ALESQ code for least-squares fits has been convenient to optimize adjustable parameters in analytic expressions. (author)
Laser-induced charge exchange in ion-atom collisions
International Nuclear Information System (INIS)
Riera, A.
1986-01-01
The theory of laser-induced charge transfer (LICT) in ion-atom collisions is presented for the range of impact energies in which a quasimolecular description is appropriate. For each relative orientation of the AC field, LICT cross sections can be obtained with trivial modifications of standard programs. Simpler, perturbative expressions for the orientation-averaged cross sections are accurate for I v -1 6 W s cm -3 , and the analytical Landau-Zener perturbative expression often provides good estimates for these cross sections. The practical advantages of the dressed state formalism as an alternative approach are critically examined, and the general characteristics of LICT cross sections in multicharged ion-atom collisions are shown with the help of an example. (Auth.)
Atomic collision databases and data services -- A survey
International Nuclear Information System (INIS)
Schultz, D.R.
1997-01-01
Atomic collision databases and data services constitute an important resource for scientific and engineering applications such as astrophysics, lighting, materials processing, and fusion energy, as well as an important knowledge base for current developments in atomic collision physics. Data centers and research groups provide these resources through a chain of efforts that include producing and collecting primary data, performing evaluation of the existing data, deducing scaling laws and semiempirical formulas to compactly describe and extend the data, producing the recommended sets of data, and providing convenient means of maintaining, updating, and disseminating the results of this process. The latest efforts have utilized modern database, storage, and distribution technologies including the Internet and World Wide Web. Given here is an informal survey of how these resources have developed, how they are currently characterized, and what their likely evolution will lead them to become in the future
24. International Conference on Atomic Collisions in Solids ICACS-24
International Nuclear Information System (INIS)
2010-01-01
This Book contains the abstracts of invited and contributed talks submitted for presentation at the 24 th International Conference on Atomic Collisions in Solids - ICACS-24. Out of nearly 200 submitted abstracts the International Programme Committee selected 46 oral and 89 poster contributions. Furthermore, 15 plenary invited lectures and the honorary Lindhard lecture are included in the scientific program. An additional tutorial day with 4 tutorial lectures is organised on Sunday prior to the Conference.
Ionization and charge exchange in atom collision with multicharged ion
International Nuclear Information System (INIS)
Presnyakov, L.P.; Uskov, D.B.
1984-01-01
Single-electron ionization and charge exchange are considered in collisions of an atom with an ion of charge Z> or =3 and at velocities v>Z -1 /sup // 3 . The approach is based on the Keldysh quasiclassical method. The ionization and charge exchange processes are described within the framework of a single formalism. Effects of rotation and translation are taken into account. The calculated total and partial cross sections agree well with the available experimental data. OFF
Theoretical atomic physics for fusion. 1995 annual report
International Nuclear Information System (INIS)
Pindzola, M.S.
1995-01-01
The understanding of electron-ion collision processes in plasmas remains a key factor in the ultimate development of nuclear fusion as a viable energy source for the nation. The 1993--1995 research proposal delineated several areas of research in electron-ion scattering theory. In this report the author summarizes his efforts in 1995. The main areas of research are: (1) electron-impact excitation of atomic ions; (2) electron-impact ionization of atomic ions; and (3) electron-impact recombination of atomic ions
Seventh international seminar on ion-atom collisions (ISIAC VII): summary
International Nuclear Information System (INIS)
1981-01-01
The scientific program was structured into eight symposia representing seven important research areas. The subject matter was expanded to include ion-molecule collisions as one of the eight symposia. The symposia were: (1) collisions involving strong binding phenomena and nuclear effects; (2) low-energy, high charge state collisions; (3) Rydberg states; (4) an Open Session; (5) ion-molecule collisions; (6) laser applications to atomic and molecular collisions; (7) collision spectroscopy; and (8) polarization, alignment and correlation
Photoionization and cold collision studies using trapped atoms
International Nuclear Information System (INIS)
Gould, P.L.
1996-01-01
The authors have used laser cooling and trapping techniques to investigate photoionization and cold collisions. With laser-trapped Rb, they have measured the photoionization cross section from the first excited (5P) level by observing the photoionization-induced loss rate of neutral atoms from the trap. This technique has the advantage that it directly measures the photoionization rate per atom. Knowing the ionizing laser intensity and the excited-state fraction, the measured loss rate gives the absolute cross section. Using this technique, the Rb 5P photoionization cross section at ∼400 nm has been determined with an uncertainty of 9%. The authors are currently attempting to extend this method to the 5D level. Using time-ordered pulses of diode-laser light (similar to the STIRAP technique), they have performed very efficient two-photon excitation of trapped Rb atoms to 5D. Finally, they will present results from a recent collaboration which combines measurements form conventional molecular spectroscopy (single photon and double resonance) with photoassociation collisions of ultracold Na atoms to yield a precise (≤1 ppm) value for the dissociation energy of the X Σ g+ ground state of the Na 2 molecule
Correlated charge-changing ion-atom collisions
International Nuclear Information System (INIS)
Tanis, J.A.
1992-04-01
This report summarizes the progress and accomplishments in accelerator atomic physics research supported by DOE grant DE-FG02-87ER13778 from March 16, 1991 through March 15, 1992. This work involves the experimental investigation of fundamental atomic processes in collisions of charged projectiles with neutral targets or electrons, with particular emphasis on two-electron interactions and electron correlation effects. Processes involving combinations of excitation, ionization, and charge transfer are investigated utilizing coincidence techniques in which projectiles charge-changing events are associated with x-ray emission, target recoil ions, or electron emission. New results have been obtained for studies involving (1) resonant recombination of atomic ions, (2) double ionization of helium, and (3) continuum electron emission. Experiments were conducted using accelerators at the Lawrence Berkeley Laboratory, Argonne National Laboratory, Michigan State University, Western Michigan University, and the Institute of Nuclear Research, Debrecen, Hungary. Brief summaries of work completed and work in progress are given in this report
Effect of temperature on atom-atom collision chain length in metals
International Nuclear Information System (INIS)
Makarov, A.A.; Demkin, N.A.; Lyashchenko, B.G.
1981-01-01
Focused atom-atom collision chain lengths are calculated for fcc-crystals with account of thermal oscillations. The model of solid spheres with the Born-Merier potential has been used in the calculations. The dependence of chain lengths on the temperature, energy and movement direction of the first chain atom for Cu, Au, Ag, Pb, Ni is considered. The plot presented shows that the chain lengths strongly decrease with temperature growth, for example, for the gold at T=100 K the chain length equals up to 37 interatomic spacings, whereas at T=1000 K their length decreases down to 5 interatomic distances. The dependence of the energy loss by the chain atoms on the atom number in the chain is obtained in a wide range of crystal temperature and the primary chain atom energy [ru
Accelerator-based atomic and molecular collision physics
International Nuclear Information System (INIS)
Datz, S.
1993-01-01
Accelerators have been shown to have great utility in addressing a broad range of problems in experimental atomic physics. There are, of course, phenomena such as inner-shell MO promotion which can occur only at high collision energies. At much higher energies, large transient Coulomb fields can be generated which lead to copious production electron-positron pairs and to capture of electrons from the negative continuum. But in addition, many advantages can be gained by carrying out low-energy (center-of-mass) collisions at high laboratory energies, specifically in a single pass mode or in multi-pass modes in ion storage rings in which, e.g., collision in the milli-electron volt region can be achieved for electron-molecule reactions. Certain advantages also accrue using open-quotes reverse kinematicsclose quotes in which high velocity ions collide with almost open-quotes stationaryclose quotes electrons as in resonant transfer and excitation (RTE) and collisions of energetic ions in the dense open-quotes electron gasclose quotes found in crystal channels
Collisions involving energy transfer between atoms with large angular moments
International Nuclear Information System (INIS)
Vdovin, Yu.A.; Galitskij, V.M.
1975-01-01
Study is made of the collisions of excited and nonexcited atoms with a small resonance defect, assuming that the excited and ground states of each atom are bound via an allowed dipole transition and that intrinsic moments of states are great. In such an approximation the atomic interaction is defined by a dipole-dipole interaction operator. Equations for amplitudes are derived for two cases: (1) the first atom is in an excited state while the second is in the ground state and (2) the first atom is in the ground state while the second is in an excited state. The problem is solved in the approximation that the moments of the excited and ground states of each atom are equal. An expression for the excitation transfer cross section is written down. Analysis of this expression shows that the excitation transfer cross section at first increases with removal from the exact resonance and reaches resonance at lambda approximately 0.1 (lambda is a dimensionless parameter which is equal to the ratio of the resonance defect Δ to the interaction at spacings of the order of the Weisskopf radius). Only at lambda >0.16 does the cross section become smaller than the resonance one. This effect is due to the interaction Hamiltonian approximation adopted in the present study
International Nuclear Information System (INIS)
Rossi, F.N.
1986-10-01
The adiabatic potential lines are first obtained through the use of a pseudo-potential, depending on the electronic orbital moment. A perturbative method is then used to generate the potential surfaces, according to the potential lines. A quantum calculation in the thermal energy domain is realized, for the cross-sections concerning the structure transitions of the Rubidium, induced by the collision with hydrogen or deuterium molecules. This allowed the interpretation of the experimentally observed isotopic effect [fr
Computer simulation of electronic excitation in atomic collision cascades
International Nuclear Information System (INIS)
Duvenbeck, A.
2007-01-01
The impact of an keV atomic particle onto a solid surface initiates a complex sequence of collisions among target atoms in a near-surface region. The temporal and spatial evolution of this atomic collision cascade leads to the emission of particles from the surface - a process usually called sputtering. In modern surface analysis the so called SIMS technology uses the flux of sputtered particles as a source of information on the microscopical stoichiometric structure in the proximity of the bombarded surface spots. By laterally varying the bombarding spot on the surface, the entire target can be scanned and chemically analyzed. However, the particle detection, which bases upon deflection in electric fields, is limited to those species that leave the surface in an ionized state. Due to the fact that the ionized fraction of the total flux of sputtered atoms often only amounts to a few percent or even less, the detection is often hampered by rather low signals. Moreover, it is well known, that the ionization probability of emitted particles does not only depend on the elementary species, but also on the local environment from which a particle leaves the surface. Therefore, the measured signals for different sputtered species do not necessarily represent the stoichiometric composition of the sample. In the literature, this phenomenon is known as the Matrix Effect in SIMS. In order to circumvent this principal shortcoming of SIMS, the present thesis develops an alternative computer simulation concept, which treats the electronic energy losses of all moving atoms as excitation sources feeding energy into the electronic sub-system of the solid. The particle kinetics determining the excitation sources are delivered by classical molecular dynamics. The excitation energy calculations are combined with a diffusive transport model to describe the spread of excitation energy from the initial point of generation. Calculation results yield a space- and time-resolved excitation
Computer simulation of electronic excitation in atomic collision cascades
Energy Technology Data Exchange (ETDEWEB)
Duvenbeck, A.
2007-04-05
The impact of an keV atomic particle onto a solid surface initiates a complex sequence of collisions among target atoms in a near-surface region. The temporal and spatial evolution of this atomic collision cascade leads to the emission of particles from the surface - a process usually called sputtering. In modern surface analysis the so called SIMS technology uses the flux of sputtered particles as a source of information on the microscopical stoichiometric structure in the proximity of the bombarded surface spots. By laterally varying the bombarding spot on the surface, the entire target can be scanned and chemically analyzed. However, the particle detection, which bases upon deflection in electric fields, is limited to those species that leave the surface in an ionized state. Due to the fact that the ionized fraction of the total flux of sputtered atoms often only amounts to a few percent or even less, the detection is often hampered by rather low signals. Moreover, it is well known, that the ionization probability of emitted particles does not only depend on the elementary species, but also on the local environment from which a particle leaves the surface. Therefore, the measured signals for different sputtered species do not necessarily represent the stoichiometric composition of the sample. In the literature, this phenomenon is known as the Matrix Effect in SIMS. In order to circumvent this principal shortcoming of SIMS, the present thesis develops an alternative computer simulation concept, which treats the electronic energy losses of all moving atoms as excitation sources feeding energy into the electronic sub-system of the solid. The particle kinetics determining the excitation sources are delivered by classical molecular dynamics. The excitation energy calculations are combined with a diffusive transport model to describe the spread of excitation energy from the initial point of generation. Calculation results yield a space- and time-resolved excitation
Microwave multiphoton excitation of helium Rydberg atoms: The analogy with atomic collisions
International Nuclear Information System (INIS)
van de Water, W.; van Leeuwen, K.A.H.; Yoakum, S.; Galvez, E.J.; Moorman, L.; Bergeman, T.; Sauer, B.E.; Koch, P.M.
1989-01-01
We study multiphoton transitions in helium Rydberg atoms subjected to a microwave electric field of fixed frequency but varying intensity. For each principal quantum number in the range n=25--32, the n 3 S to n 3 (L>2), n=25--32, transition probability exhibits very sharp structures as a function of the field amplitude. Their positions could be reproduced precisely using a Floquet Hamiltonian for the interaction between atom and field. Their shapes are determined by the transients of field turn-on and turn-off in a way that makes a close analogy with the theory of slow atomic collisions
Fragmentation of atomic clusters: A theoretical study
International Nuclear Information System (INIS)
Lopez, M.J.; Jellinek, J.
1994-01-01
Collisionless fragmentation of nonrotating model n-atom metal clusters (n=12, 13, and 14) is studied using isoergic molecular-dynamics simulations. Minimum-energy paths for fragmentation are mapped out as functions of the distance between the centers of mass of the fragments. These paths provide information on the fragmentation energies for the different fragmentation channels. Fragmentation patterns (distributions of the fragmentation channel probabilities) and global and channel-specific fragmentation rate constants are computed and analyzed as functions of the internal energy and of the size of the clusters. The trends derived from the dynamics are compared with those obtained using the RRK and TST statistical approaches. The dynamics of the fragmentation process is analyzed in terms of characteristic quantities such as the distance between the centers of mass of the fragments, their relative translational energy, and their interaction energy, all considered as functions of time
Electron transfer, ionization, and excitation in atomic collisions
International Nuclear Information System (INIS)
Winter, T.G.; Alston, S.G.
1992-01-01
The research being carried out at Penn State by Winter and Alston addresses the fundamental processes of electron transfer, ionization, and excitation in ion-atom (and ion-ion) collisions. The focus is on intermediate- and higher-energy collisions, corresponding to proton energies of about 25 kilo-electron-volts (keV) or larger. At intermediate energies, where the transition probabilities are not small, many states must be coupled in a large calculation, while at higher energies, perturbative approaches may be used. Several studies have been carried out in the current three-year period; most of these treat systems with only one or two electrons, so that fewer approximations need be made and the basic collisional mechanisms can be more clearly described
Vacuum polarization effects in low-energy muonic atom collisions
International Nuclear Information System (INIS)
Melezhik, V.S.
1995-01-01
We estimate the vacuum polarization (VP) correction to the Coulomb interaction in collisions of muonic atoms. It is shown that the VP effect, amplified by the low-lying virtual state var-epsilon var-theta ∼10 eV, is of the order of ∼1--2 % in the S-wave cross sections for pμ+p collisions as var-epsilon ≤ var-epsilon var-theta . The VP amplitude becomes comparable to the anomalously small pure Coulomb amplitude for the singlet tμ+t scattering as var-epsilon →0 and near the Ramsauer-Townsend minima in the dμ+p and tμ+p scattering
Multivariable hypergeometric functions for ion-atom collisions
Energy Technology Data Exchange (ETDEWEB)
Gasaneo, G.; Colavecchia, F.D.; Garibotti, C.R
1999-06-03
In this work we present a correlated wave function for a three-body continuum Coulomb problem. This state is described by the two-variables PHI{sub 2} hypergeometric function. We examine the properties of this function and their differences with previous uncorrelated models. The PHI{sub 2} wave function can be considered as a final state of ion-atom ionizing collisions, giving rise to both undistorted (Born-PHI{sub 2}) and distorted (EIS-PHI{sub 2}) models. We obtain double differential cross sections with the Born-PHI{sub 2} theory for proton-helium collisions in the intermediate to high energy regime. They exhibit all the main features of the electronic emission process and agree with the experimental data.
International Nuclear Information System (INIS)
Santavicca, D.A.
1975-01-01
The research was aimed at developing a neutral copper atom beam source which could be used to study the collision cross sections for electronic excitation of neutral copper atoms in collision with neutral argon atoms. Of particular interest is the excitation from the ground state to the two upper laser levels at 3.80 and 3.82 electron volts
Probing Efimov discrete scaling in an atom-molecule collision
Shalchi, M. A.; Yamashita, M. T.; Hadizadeh, M. R.; Garrido, E.; Tomio, Lauro; Frederico, T.
2018-01-01
The discrete Efimov scaling behavior, well known in the low-energy spectrum of three-body bound systems for large scattering lengths (unitary limit), is identified in the energy dependence of an atom-molecule elastic cross section in mass-imbalanced systems. That happens in the collision of a heavy atom with mass mH with a weakly bound dimer formed by the heavy atom and a lighter one with mass mL≪mH . Approaching the heavy-light unitary limit, the s -wave elastic cross section σ will present a sequence of zeros or minima at collision energies following closely the Efimov geometrical law. Our results, obtained with Faddeev calculations and supplemented by a Born-Oppenheimer analysis, open a perspective to detecting the discrete scaling behavior from low-energy scattering data, which is timely in view of the ongoing experiments with ultracold binary mixtures having strong mass asymmetries, such as lithium and cesium or lithium and ytterbium.
Vibrational deactivation and atom exchange in O(3P)+CO(X 1Σ+) collisions
International Nuclear Information System (INIS)
Kelley, J.D.; Thommarson, R.L.
1977-01-01
A quasiclassical Monte Carlo averaged trajectory study of the ground-state O, CO collision system is presented. An ''effective'' adiabatic potential surface is constructed using pertinent theoretical and experimental data. Vibrational deactivation rates for CO(v=1, 3) and atom exchange rates for CO(v=0, 1, 3) are calculated and compared with experimental data. The high-temperature (400 K< T<2000 K) and low-temperature (270 K< T<400 K) CO deactivation data, and the low-temperature (300 K< T<400 K) atom exchange data are all fit reasonably well by the calculation. However, comparison of the deactivation data to the atom exchange data suggests that at temperatures below 400 K an additional nonadiabatic mechanism may be contributing to the overall deactivation rate
Collisions of low-energy antiprotons and protons with atoms and molecules
Energy Technology Data Exchange (ETDEWEB)
Luehr, Armin
2010-02-18
Antiproton (anti p) collisions have evolved to a powerful tool for the testing of dynamic electron correlations in atoms and molecules. While advances in the understanding of anti p collisions with the simplest one- and two-electron atoms, H and He, have been achieved experiment and theory did not agree for low-energy anti p+He collisions (<40 keV), stimulating a vivid theoretical activity. On the other hand, only very few theoretical anti p studies can be found considering molecular as well as other atomic targets, in contrast to proton (p) collisions. This is in particular true for anti p impacts on H{sub 2} despite its fundamental role in representing the simplest two-electron molecule. The obtained results may be useful for the anti p experiments at CERN (e.g., antihydrogen production) and in particular for the facility design of low-energy anti p storage rings (e.g., at FLAIR) where a precise knowledge of the anti p interaction with the dominant residual-gas molecule H{sub 2} is needed. In this work a nonperturbative, time-dependent numerical approach is developed which describes ionization and excitation of atoms or molecules by either anti p or p impact based on the impact-parameter method. A spectral close-coupling method is employed for solving the time-dependent Schroedinger equation in which the scattering wave function is expanded in (effective) one- or two-electron eigenstates of the target. This includes for the first time a full two-electron, two-center description of the H{sub 2} molecule in anti p collisions. The radial part of the one-electron eigenstates is expanded in B splines while the two-electron basis is obtained with a configurationinteraction approach. Calculations are performed for anti p collisions with H, H{sub 2}{sup +}, and H{sub 2} as well as with He and alkali-metal atoms Li, Na, K, and Rb. Additionally, data are obtained for p collisions with H{sub 2}, Li, Na, and K. The developed method is tested and validated by detailed
Production of dimeson atoms in high-energy collisions
Energy Technology Data Exchange (ETDEWEB)
Afanasyev, L.; Gevorkyan, S.; Voskresenskaya, O. [Joint Institute for Nuclear Research, Dubna (Russian Federation)
2017-04-15
The production of two-meson electromagnetic bound states and free meson pairs π{sup +}π{sup -}, K{sup +}K{sup -}, π{sup +}K{sup -+} in relativistic collisions has been considered. It is shown that using of exact Coulomb wave functions for dimeson atom (DMA) allows one to calculate the yield of discrete states with the desired accuracy. The relative probabilities of production of DMA and meson pairs in the free state are estimated. The amplitude of DMA transition from 1S to 2P state, which is essential for the pionium Lamb shift measurements, has been obtained. (orig.)
Delta-electron emission in fast heavy ion atom collisions
International Nuclear Information System (INIS)
Schmidt-Boecking, H.; Ramm, U.; Berg, H.; Kelbch, C.; Feng Jiazhen; Hagmann, S.; Kraft, G.; Ullrich, J.
1991-01-01
The δ-electron emission processes occuring in fast heavy ion atom collisons are explained qualitatively. The different spectral structures of electron emission arising from either the target or the projectile are explained in terms of simple models of the kinetics of momentum transfer induced by the COULOMB forces. In collisions of very heavy ions with matter, high nuclear COULOMB forces are created. These forces lead to a strong polarization of the electronic states of the participated electrons. The effects of this polarization are discussed. (orig.)
δ-electron spectroscopy and the atomic clock effect in heavy-ion collisions
International Nuclear Information System (INIS)
Mueller-Nehler, U.
1993-11-01
The properties of strongly bound electrons in superheavy quasimolecular systems with combined nuclear charge numbers Z = Z P + Z T ≥ 110 are investigated. The emission of δ-electrons may serve as an atomic clock for nuclear reactions which is associated with the large overlap of the electron probability density with the nuclear interior. Excitation and emission rates of inner-shell electrons in collisions of very heavy ions with beam energies at or above the nuclear Coulomb barrier depend explicitly on details of the nuclear dynamics. Theoretical and experimental results are reviewed. (orig.)
Electron capture in collisions of S4+ with atomic hydrogen
Stancil, P. C.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Zygelman, B.
2001-06-01
Charge transfer processes due to collisions of ground state S4+(3s2 1S) ions with atomic hydrogen are investigated for energies between 1 meV u-1 and 10 MeV u-1 using the quantum mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC) and continuum distorted wave methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were explored, including different momentum and radial distributions for the initial state, as well as effective charge and quantum-defect models to determine the corresponding quantum state after capture into final partially stripped S3+ excited classical states. Hydrogen target isotope effects are explored and rate coefficients for temperatures between 100 and 106 K are also presented.
Electron capture in ion atom and ion-ion collisions
International Nuclear Information System (INIS)
Barat, M.
1986-01-01
Electron capture (EC) by positive ions in collision with various targets has remained one of the most important subjects of research since the early 30's. From a theoretical point of view, EC is obviously a coupled 3-body problem: at least two cores and an active electron that jumps between them. Practical interest in EC arose in a variety of fields. Recently a renewed interest arose from the physics of thermonuclear fusion, where capture by highly charged ionic impurities were found to be an important process in tokamak devices. For that reasons, a number of reviews were devoted to this subject during the past years, including lectures given in various NATO advanced science institutes. The aim of this lecture is not at all to add a new review to this list, but (i) to summarize the very basis of the present theoretical approaches at low and moderate collision energy, (ii) to pinpoint some crucial difficulties in the theoretical treatment, (iii) to select specific examples which, to the taste of the author, reflect some present practical interest, or some significant advances. 48 references, 38 figures, 1 table
Properties of atomic pairs produced in the collision of Bose-Einstein condensates
Ziń, Paweł; Wasak, Tomasz
2018-04-01
During a collision of Bose-Einstein condensates correlated pairs of atoms are emitted. The scattered massive particles, in analogy to photon pairs in quantum optics, might be used in the violation of Bell's inequalities, demonstration of Einstein-Podolsky-Rosen correlations, or sub-shot-noise atomic interferometry. Usually, a theoretical description of the collision relies either on stochastic numerical methods or on analytical treatments involving various approximations. Here, we investigate elastic scattering of atoms from colliding elongated Bose-Einstein condensates within the Bogoliubov method, carefully controlling performed approximations at every stage of the analysis. We derive expressions for the one- and two-particle correlation functions. The obtained formulas, which relate the correlation functions to the condensate wave function, are convenient for numerical calculations. We employ the variational approach for condensate wave functions to obtain analytical expressions for the correlation functions, whose properties we analyze in detail. We also present a useful semiclassical model of the process and compare its results with the quantum one. The results are relevant for recent experiments with excited helium atoms, as well as for planned experiments aimed at investigating the nonclassicality of the system.
Excitation and charge transfer in low-energy hydrogen atom collisions with neutral iron
Barklem, P. S.
2018-05-01
Data for inelastic processes due to hydrogen atom collisions with iron are needed for accurate modelling of the iron spectrum in late-type stars. Excitation and charge transfer in low-energy Fe+H collisions is studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multi-channel Landau-Zener model. An extensive calculation including 166 covalent states and 25 ionic states is presented and rate coefficients are calculated for temperatures in the range 1000-20 000 K. The largest rates are found for charge transfer processes to and from two clusters of states around 6.3 and 6.6 eV excitation, corresponding in both cases to active 4d and 5p electrons undergoing transfer. Excitation and de-excitation processes among these two sets of states are also significant. Full Tables and rate coefficient data are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/612/A90
Diabatic and adiabatic representations for atomic collision processes
International Nuclear Information System (INIS)
Delos, J.B.; Thorson, W.R.
1979-01-01
A consistent general definition of diabatic representations has not previously been given, even though many practical examples of such representations have been constructed for specific problems. Such a definition is provided in this paper. Beginning with a classical trajectory formulation, we describe the form and behavior of velocity-dependent couplings in slow collisions, including the effects of electron-translation factors (ETF's). We compare the couplings arising from atomic representations and atomic ETF's with those arising from molecular representations and ''switching function'' ETF's. We show that a unique set of switching functions makes the two descriptions identical in their effects. We then show that an acceptable general definition of a diabatic representation is provided by the condition P+A=0, where P is the usual nonadiabatic coupling matrix and A represents corrections to it arising from electron translation factors (ETF's). Two distinct types of diabatic representation result, depending on the definition taken for A. States that undergo no deformation are called F diabatic; those that have no velocity-dependent couplings are called M diabatic. Finally, we discuss the properties of representations that are partially diabatic and partially adiabatic, and we give some rules for the construction of representations that should be nearly optimal for describing many types of collision processes
Solov'yov, Andrey; ISACC 2007; Latest advances in atomic cluster collisions
2008-01-01
This book presents a 'snapshot' of the most recent and significant advances in the field of cluster physics. It is a comprehensive review based on contributions by the participants of the 2nd International Symposium on Atomic Cluster Collisions (ISACC 2007) held in July 19-23, 2007 at GSI, Darmstadt, Germany. The purpose of the Symposium is to promote the growth and exchange of scientific information on the structure and properties of nuclear, atomic, molecular, biological and complex cluster systems studied by means of photonic, electronic, heavy particle and atomic collisions. Particular attention is devoted to dynamic phenomena, many-body effects taking place in cluster systems of a different nature - these include problems of fusion and fission, fragmentation, collective electron excitations, phase transitions, etc.Both the experimental and theoretical aspects of cluster physics, uniquely placed between nuclear physics on the one hand and atomic, molecular and solid state physics on the other, are discuss...
Stochastic theory of molecular collisions. II. Application to atom--vibrotor collisions
International Nuclear Information System (INIS)
Augustin, S.D.; Rabitz, H.
1977-01-01
In this work stochastic theory is applied to the treatment of atom--vibrotor collisions. This is an extension of a previous paper which described molecular collisions by a Pauli master equation or a Fokker--Planck equation. In this framework an energy conserving classical path model is explored, and methods for solving the equations numerically are discussed. The coefficients of the Fokker--Planck equation are shown to be expressible as simple functions of the interaction potential. Estimates of the computational labor are also discussed. Finally as a followup on the initial work, numerical solutions of the master equation for the collinear vibrational excitation problem of Secrest and Johnson are presented in an Appendix
Theoretical Calculation of Absolute Radii of Atoms and Ions. Part 1. The Atomic Radii
Directory of Open Access Journals (Sweden)
Raka Biswas
2002-02-01
Full Text Available Abstract. A set of theoretical atomic radii corresponding to the principal maximum in the radial distribution function, 4ÃÂ€r2R2 for the outermost orbital has been calculated for the ground state of 103 elements of the periodic table using Slater orbitals. The set of theoretical radii are found to reproduce the periodic law and the Lother MeyerÃ¢Â€Â™s atomic volume curve and reproduce the expected vertical and horizontal trend of variation in atomic size in the periodic table. The d-block and f-block contractions are distinct in the calculated sizes. The computed sizes qualitatively correlate with the absolute size dependent properties like ionization potentials and electronegativity of elements. The radii are used to calculate a number of size dependent periodic physical properties of isolated atoms viz., the diamagnetic part of the atomic susceptibility, atomic polarizability and the chemical hardness. The calculated global hardness and atomic polarizability of a number of atoms are found to be close to the available experimental values and the profiles of the physical properties computed in terms of the theoretical atomic radii exhibit their inherent periodicity. A simple method of computing the absolute size of atoms has been explored and a large body of known material has been brought together to reveal how many different properties correlate with atomic size.
Theoretical investigation of electron-positive ion/atom interactions
International Nuclear Information System (INIS)
Msezane, A.Z.
1992-01-01
Very brief summaries are given on three research topics. Electron impact elastic, excitation, and total cross sections for K were investigated by using elaborate Cl target wave functions in the close-coupling approximation. Photoionization cross sections from ground-state Na were calculated near the 2s 2 2p 5 3s and 2s2p 6 3s inner-shell thresholds; also, the photoionization cross sections of excited 3p 2 P o and 3d 2 D states were calculated with the R-matrix methodology near the 2s2p 6 3s thresholds. A numerical approach was developed to calculate the charge transfer matrix elements for ion-atom(ion) collisions; this was used for the proton-hydrogen collision problem as an illustration
Studies on low energy ion-atom collisions by means of electron-spectroscopy
International Nuclear Information System (INIS)
Hirosi Suzuki
1991-01-01
The typical results of studies on autoionization processes produced by low energy ion-atom collisions are given by means of the ejected electron spectroscopy, which have been performed by Atomic Physics Group of Sophia University
International Nuclear Information System (INIS)
Semmineh, Natenael; Bililign, Solomon; Hagebaum-Reignier, Denis; Jeung, Gwang-Hi
2009-01-01
Collisions of excited Li(4p) states with C 2 H 4 , C 2 H 6 and C 3 H 8 are studied experimentally using far-wing scattering state spectroscopy techniques. High-level ab initio quantum mechanical studies of the Li-C 2 H 4 system are conducted to explain the results of the experiment for this system. The recent and present works indicate that knowledge of the internal structure of the perturber (C 2 H 4 , C 2 H 6 and C 3 H 8 ) is essential to fully understand the interaction between the metal and the hydrocarbon molecules. The ab initio calculation shows that the Li(4d) (with little probability under the experimental conditions) and the Li(4p) can be formed directly through the laser pumping. It also shows that the Li(4s) and Li(3d) states can be formed through an electronic diabatic coupling involving a radiationless process. However, the Li(3p), Li(3s) and Li(2p) states can only be formed through a secondary diabatic coupling which is a much less probable process than the primary one. The calculation limited to two C 2v sections of the potential energy surfaces (PESs) shows peculiar multi-state crossings that we have never seen in other lithium complexes we studied
International Nuclear Information System (INIS)
Golden, D.E.; Morrison, M.
1983-01-01
Objectives of this research are: to determine accurate integrated and differential cross sections for low energy electron-molecule elastic scattering, excitation and ionization; to develop, implement, and test new experimental and theoretical procedures for studying low energy collision processes; and to contribute to basic understanding of a fundamental problem in atomic collision physics, the interaction of a charged particle with a non-spherical target that is rich in structure
Excitation and charge transfer in low-energy hydrogen atom collisions with neutral oxygen
Barklem, P. S.
2018-02-01
Excitation and charge transfer in low-energy O+H collisions is studied; it is a problem of importance for modelling stellar spectra and obtaining accurate oxygen abundances in late-type stars including the Sun. The collisions have been studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals (LCAO) model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multichannel Landau-Zener model. The method has been extended to include configurations involving excited states of hydrogen using an estimate for the two-electron transition coupling, but this extension was found to not lead to any remarkably high rates. Rate coefficients are calculated for temperatures in the range 1000-20 000 K, and charge transfer and (de)excitation processes involving the first excited S-states, 4s.5So and 4s.3So, are found to have the highest rates. Data are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/vizbin/qcat?J/A+A/610/A57. The data are also available at http://https://github.com/barklem/public-data
Treatment of Ion-Atom Collisions Using a Partial-Wave Expansion of the Projectile Wavefunction
Wong, T. G.; Foster, M.; Colgan, J.; Madison, D. H.
2009-01-01
We present calculations of ion-atom collisions using a partial-wave expansion of the projectile wavefunction. Most calculations of ion-atom collisions have typically used classical or plane-wave approximations for the projectile wavefunction, since partial-wave expansions are expected to require prohibitively large numbers of terms to converge…
Adiabatic translation factors in slow ion-atom collisions
International Nuclear Information System (INIS)
Vaaben, J.; Taulbjerg, K.
1981-01-01
The general properties of translation factors in slow atomic collisions are discussed. It is emphasised that an acceptable form of translation factors must be conceptually consistent with the basic underlying assumption of the molecular model; i.e. translation factors must relax adiabatically at intermediate and small internuclear separations. A simple physical argument is applied to derive a general parameter-free expression for the translation factor pertinent to an electron in a two-centre Coulomb field. Within the present approach the adiabatic translation factor is considered to be a property of the two-centre field independently of the molecular state under consideration. The generalisation to many-electron systems is therefore readily made. (author)
Collision-induced polarizabilities of inert gas atoms
International Nuclear Information System (INIS)
Clarke, K.L.; Madden, P.A.; Buckingham, A.D.
1978-01-01
The use of polarizability densities to calculate collision-induced polarizabilities is investigated. One method for computing polarizabilities of inert gas diatoms employs atomic polarizability densities from finite-field Hartree-Fock calculations, together with classical equations for the polarization of dielectrics. It is shown that this model gives inaccurate values for both the local fields and the local response to non-uniform fields. An alternative method incorporating the same physical effects is used to compute the pair polarizabilities to first order in the interatomic interaction. To first order the pair contribution to the trace of the polarizability is negative at short range. The calculated anisotropy does not differ significantly from the DID value, whereas the polarizability density calculation gives a substantial reduction in the anisotropy. (author)
Fast ion-atom and ion-molecule collisions
2013-01-01
The principal goal of this book is to provide state-of-the art coverage of the non-relativistic three- and four-body theories at intermediate and high energy ion-atom and ion-molecule collisions. The focus is on the most frequently studied processes: electron capture, ionization, transfer excitation and transfer ionization. The content is suitable both for graduate students and experienced researchers. For these collisions, the literature has seen enormous renewal of activity in the development and applications of quantum-mechanical theories. This subject is of relevance in several branches of science and technology, like accelerator-based physics, the search for new sources of energy and high temperature fusion of light ions. Other important applications are in life sciences via medicine, where high-energy ion beams are used in radiotherapy for which a number of storage ring accelerators are in full operation, under construction or planned to be built worldwide. Therefore, it is necessary to review this fiel...
Thermal relaxation of molecular oxygen in collisions with nitrogen atoms
Energy Technology Data Exchange (ETDEWEB)
Andrienko, Daniil A., E-mail: daniila@umich.edu; Boyd, Iain D. [Department of Aerospace Engineering, University of Michigan, 1320 Beal Ave., Ann Arbor, Michigan 48108 (United States)
2016-07-07
Investigation of O{sub 2}–N collisions is performed by means of the quasi-classical trajectory method on the two lowest ab initio potential energy surfaces at temperatures relevant to hypersonic flows. A complete set of bound–bound and bound–free transition rates is obtained for each precollisional rovibrational state. Special attention is paid to the vibrational and rotational relaxations of oxygen as a result of chemically non-reactive interaction with nitrogen atoms. The vibrational relaxation of oxygen partially occurs via the formation of an intermediate NO{sub 2} complex. The efficient energy randomization results in rapid vibrational relaxation at low temperatures, compared to other molecular systems with a purely repulsive potential. The vibrational relaxation time, computed by means of master equation studies, is nearly an order of magnitude lower than the relaxation time in N{sub 2}–O collisions. The rotational nonequilibrium starts to play a significant effect at translational temperatures above 8000 K. The present work provides convenient relations for the vibrational and rotational relaxation times as well as for the quasi-steady dissociation rate coefficient and thus fills a gap in data due to a lack of experimental measurements for this system.
Charge exchange cross sections in slow collisions of Si3+ with Hydrogen atom
Joseph, Dwayne; Quashie, Edwin; Saha, Bidhan
2011-05-01
In recent years both the experimental and theoretical studies of electron transfer in ion-atom collisions have progressed considerably. Accurate determination of the cross sections and an understanding of the dynamics of the electron-capture process by multiply charged ions from atomic hydrogen over a wide range of projectile velocities are important in various field ranging from fusion plasma to astrophysics. The soft X-ray emission from comets has been explained by charge transfer of solar wind ions, among them Si3+, with neutrals in the cometary gas vapor. The cross sections are evaluated using the (a) full quantum and (b) semi-classical molecular orbital close coupling (MOCC) methods. Adiabatic potentials and wave functions for relavent singlet and triplet states are generated using the MRDCI structure codes. Details will be presented at the conference. In recent years both the experimental and theoretical studies of electron transfer in ion-atom collisions have progressed considerably. Accurate determination of the cross sections and an understanding of the dynamics of the electron-capture process by multiply charged ions from atomic hydrogen over a wide range of projectile velocities are important in various field ranging from fusion plasma to astrophysics. The soft X-ray emission from comets has been explained by charge transfer of solar wind ions, among them Si3+, with neutrals in the cometary gas vapor. The cross sections are evaluated using the (a) full quantum and (b) semi-classical molecular orbital close coupling (MOCC) methods. Adiabatic potentials and wave functions for relavent singlet and triplet states are generated using the MRDCI structure codes. Details will be presented at the conference. Work supported by NSF CREST project (grant #0630370).
Atoms-for-Peace: A Galactic Collision in Action
2010-11-01
European Southern Observatory astronomers have produced a spectacular new image of the famous Atoms-for-Peace galaxy (NGC 7252). This galactic pile-up, formed by the collision of two galaxies, provides an excellent opportunity for astronomers to study how mergers affect the evolution of the Universe. Atoms-for-Peace is the curious name given to a pair of interacting and merging galaxies that lie around 220 million light-years away in the constellation of Aquarius. It is also known as NGC 7252 and Arp 226 and is just bright enough to be seen by amateur astronomers as a very faint small fuzzy blob. This very deep image was produced by ESO's Wide Field Imager on the MPG/ESO 2.2-metre telescope at ESO's La Silla Observatory in Chile. A galaxy collision is one of the most important processes influencing how our Universe evolves, and studying them reveals important clues about galactic ancestry. Luckily, such collisions are long drawn-out events that last hundreds of millions of years, giving astronomers plenty of time to observe them. This picture of Atoms-for-Peace represents a snapshot of its collision, with the chaos in full flow, set against a rich backdrop of distant galaxies. The results of the intricate interplay of gravitational interactions can be seen in the shapes of the tails made from streams of stars, gas and dust. The image also shows the incredible shells that formed as gas and stars were ripped out of the colliding galaxies and wrapped around their joint core. While much material was ejected into space, other regions were compressed, sparking bursts of star formation. The result was the formation of hundreds of very young star clusters, around 50 to 500 million years old, which are speculated to be the progenitors of globular clusters. Atoms-for-Peace may be a harbinger of our own galaxy's fate. Astronomers predict that in three or four billion years the Milky Way and the Andromeda Galaxy will collide, much as has happened with Atoms-for-Peace. But don
International Nuclear Information System (INIS)
Choi, B.H.; Poe, R.T.
1985-01-01
We present a systematic formulation of the atom--surface scattering dynamics which includes the vibrational states of the atoms in the solid (phonons). The properties of the total scattering wave function of the system, a representation of the interaction potential matrix, and the characteristics of the independent physical solutions are all derived from the translational invariance of the full Hamiltonian. The scattering equations in the integral forms as well as the related Green functions were also obtained. The configurational representations of the Green functions, in particular, are quite different from those of the conventional scattering theory where the collision partners are spatially localized. Various versions of the integral expression of scattering, transition, and reactance matrices were also obtained. They are useful for introducing approximation schemes. From the present formulation, some specific theoretical schemes which are more realistic compared to those that have been employed so far and at the same time capable of yielding effective ab initio computation are derived in the following paper. The time reversal invariance and the microscopic reversibility of the atom--surface scattering were discussed. The relations between the in and outgoing scattering wave functions which are satisfied in the atom--surface system and important in the transition matrix methods were presented. The phonon annihilation and creation, and the adsorption and desorption of the atom are related through the time reversal invariance, and thus the microscopic reversibility can be tested by the experiment
Projectile ionization in fast heavy-ion--atom collisions
International Nuclear Information System (INIS)
Schneider, D.; Prost, M.; Stolterfoht, N.; Nolte, G.; Du Bois, R.
1983-01-01
Electron emission following the ionization of projectile ions has been investigated systematically in collisions with Ne/sup q/+ and Ar/sup q/+ ions at several hundred MeV incident on different target gases. The projectile electrons are concentrated within one maximum, the electron-loss peak (ELP). The variation of the shape and intensity of the ELP with the projectile energy, its charge state, the observation angle, and the target gas has been measured. Theoretical predictions which are based on the binary-encounter approximation show, in general, good agreement with the experimental data. The contributions of the different subshells to the ELP are deduced. It is shown that electronic screening of the target nucleus plays an important role in the ionization process of the projectile ions
Auto transfer to Rydberg states during ion-atom collisions
International Nuclear Information System (INIS)
Bachau, H.; Harel, C.; Barat, M.; Roncin, P.; Bordenave-Montesquieu, A.; Moretto-Capelle, P.; Benoit-Cattin, P.; Gleizes, A.; Benhenni, M.
1993-01-01
Electron capture by slow multiply charged ions colliding on rare-gas targets is known to populate highly excited states of the projectile. On the basis of experimental measurement of energy and angle differential cross-sections we have shown that capture to a resonant doubly excited state may lead to Autoionizing Double Capture (ADC) as well as to True Double Capture (TDC). In this model TDC appears as a two step post-collisional process, the state populated by the collision decays to (or delutes into) a dense adjacent Rydberg series, followed by radiative deexcitation of the inner electron of the (3,n) Rydberg states. We report here new experimental observations in electron spectra measured in N 7+ +He. Auto transfer to Rydber states has also important consequences on the determination of the lifetime of the autoionizing states, some discrepancies between theoretical width values for low N 5+ (4,4) resonant states will be discussed and partially resolved
Theoretical Atomic Physics code development IV: LINES, A code for computing atomic line spectra
International Nuclear Information System (INIS)
Abdallah, J. Jr.; Clark, R.E.H.
1988-12-01
A new computer program, LINES, has been developed for simulating atomic line emission and absorption spectra using the accurate fine structure energy levels and transition strengths calculated by the (CATS) Cowan Atomic Structure code. Population distributions for the ion stages are obtained in LINES by using the Local Thermodynamic Equilibrium (LTE) model. LINES is also useful for displaying the pertinent atomic data generated by CATS. This report describes the use of LINES. Both CATS and LINES are part of the Theoretical Atomic PhysicS (TAPS) code development effort at Los Alamos. 11 refs., 9 figs., 1 tab
Electron-collision excitation cross section of the silver atom
International Nuclear Information System (INIS)
Krasavin, A.Y.; Kuchenev, A.N.; Smirnov, Y.M.
1983-01-01
The cross sections for direct excitation by electron collision were measured for fifteen transitions of the silver atom. For thirteen of these transitions the optical excitation functions were recorded, varying the energy of the exciting electrons from the threshold energy to 250 eV. The operating region of the spectrum was 2000--5500 A. The excitation cross sections of the two principal lines exceeded the excitation cross sections of all the remaining lines by more than an order of magnitude. Reabsorption of the resonance lines was detected from the change in the ratio of intensities of the lines at 3280.68 and 3382.89 A, and so their intensity has been corrected relative to the intensities of the nonreabsorbed lines. All radiative transitions, with the exception of resonance transitions, participate in cascade population of the lowest resonance levels, making it possible to determine the resulting direct excitation cross sections of the 5p 2 P/sub 1/2/ and 5p 2 P/sub 3/2/ levels from the ground state of the silver atom. The part played by cascade population of the resonance levels is not large and is 2 P/sub 3/2/ level, and 10% for the 5p 2 P/sub 1/2/ level, of the excitation cross sections of the corresponding resonance transitions
Theoretical evaluation of matrix effects on trapped atomic levels
International Nuclear Information System (INIS)
Das, G.P.; Gruen, D.M.
1986-06-01
We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs
Theoretical calculation of saturated absorption for multilevel atoms
International Nuclear Information System (INIS)
O'Kane, T.J.; Scholten, R.E.; Farrell, P.M.
1998-01-01
We present the first theoretical saturated absorption spectra for general multi-level atoms, using a model based on extensions of the optical Bloch equations, and using Monte Carlo averaging of the absorption of individual atoms with random trajectories through a standing wave. We are for the first time able to accurately predict the merging of hyperfine and cross-over resonances due to intensity dependent phenomena such as power broadening. Results for 20-level sodium and 24-level rubidium models are presented and compared to experiment, demonstrating excellent agreement
Rearrangement reactions in ion-ion and ion-atom collisions: results and problems
Energy Technology Data Exchange (ETDEWEB)
Presnyakov, L.P. [Lebedev Physical Institute, Moscow (Russian Federation); Tawara, H.
1997-01-01
Recent experimental and theoretical results are discussed for ionic collisions with large cross sections at intermediate and small energies of the relative motion. Single- and double-electron removal from H{sup -} ions in slow collisions with other ions is considered in more details. The theoretical methods are discussed from the viewpoint of general requirements of scattering theory. (author)
Direct processes in ion-atom collisions at intermediate and high energies
International Nuclear Information System (INIS)
Rodriguez Chariarse, V.D.
1990-01-01
This thesis deals with direct processes induced by Zp charge ion impact on one or two electron atoms and ions at intermediate energies. At a first step, a one-dimensional collision model is used in order to prove the different theoretical methods available to study collisions at such energy range, such as: perturbative and related variational principles, and distorted wave methods. The best description of both, symmetric and asymmetric collision type, is achieved by the distorted wave methods, particularly the ones using the exact impulsive wave function. As a next step, the appropriate formulations of the wave functions employed in the one-dimensional model to describe the real 3-dimensional Coulomb interaction case are examined by using the Eikonal and impulse hypothesis. In this way, the VPS and Eikonal wave functions are reviewed, and furtherly, the Eikonal form of the extended impulse wave function is derived. The Eikonal impulse approximation (EIA) is introduced. This is a distorted wave method using the Eikonal and extended impulse wave functions. The choice of the EIA prior version, i.e., the one using extended impulse wave function in the final channel for excitation is widely discussed and justified. (Author) [es
Theoretical aspects of the stabilization of atomic hydrogen
International Nuclear Information System (INIS)
Eijnde, J.P.H.W. van den.
1984-01-01
This thesis describes a theoretical study of processes leading to recombination of hydrogen atoms into molecular form. A relaxation process, due to the transition among the lowest two hyperfine levels of atomic hydrogen, turns out to be of fundamental importance for the recombination rate. Models have been formulated to calculate the relaxation rate by means of quantum mechanical scattering theory. For processes in the bulk of the gas the results of an almost exact coupled-channels calculation have been compared with approximate models. In these models first-order approximations are applied, as well as approximations connected with the large distance of closest approach of the colliding hydrogen atoms. The assumptions turned out to be correct to the promille level, except for the so-called high-temperature limit. (Auth.)
Cooper, D. L.; Stancil, P. C.; Turner, A. R.; Wang, J. G.; Clarke, N. J.; Zygelman, B.
2002-01-01
A survey of theoretical studies of charge transfer involving collisions of multiply-charged ions with atomic neutrals (H and He) is presented. The calculations utilized the quantum-mechanical molecular-orbital close-coupling (MOCC) approach where the requisite potential curves and coupling matrix elements have been obtained with the spin-coupled valence bond (SCVB) method. Comparison is made among various collision partners, for equicharged systems, where it is illustrated that even for total...
Dynamic effect of collision failure of phase in gas of cold dark atoms
International Nuclear Information System (INIS)
Il'ichev, L.V.
2005-01-01
In a gas of slow atoms exhibiting the effect of coherent population trapping (CPT) on the sublevels of the ground state in a spatially nonuniform light field, rare collisions destroying the CPT state initiate the irreversible exchange of momentum between radiation and atoms. This exchange is manifested as an additional force that acts on the particles. The force is of geometric origin, being determined only by the structure of the field of local CPT states. When this force is not masked by the standard collision change in atomic momentum, the observation of the kinetics of the particles may provide information on the physics of the collisions [ru
International Nuclear Information System (INIS)
Shevelko, V.P.; Litsarev, M.S.; Kato, D.; Tawara, H.
2010-09-01
Single- and multiple-electron loss processes in collisions of heavy many-electron ions (positive and negative) in collisions with neutral atoms at low and intermediate energies are considered using the energy-deposition model. The DEPOSIT computer code, created earlier to calculate electron-loss cross sections at high projectile energies, is extended for low and intermediate energies. A description of a new version of DEPOSIT code is given, and the limits of validity for collision velocity in the model are discussed. Calculated electron-loss cross sections for heavy ions and atoms (N + , Ar + , Xe + , U + , U 28+ , W, W + , Ge - , Au - ), colliding with neutral atoms (He, Ne, Ar, W) are compared with available experimental and theoretical data at energies E > 10 keV/u. It is found that in most cases the agreement between experimental data and the present model is within a factor of 2. Combining results obtained by the DEPOSIT code at low and intermediate energies with those by the LOSS-R code at high energies (relativistic Born approximation), recommended electron-loss cross sections in a wide range of collision energy are presented. (author)
The fifth international symposium ''atomic cluster collisions''. ISACC 2011. Book of Abstracts
International Nuclear Information System (INIS)
2011-01-01
promote, as all former ones, the growth and exchange of scientific information on the structure, properties and dynamics of complex nuclear, atomic, molecular, cluster, nanoscopic and biological systems studied primarily by means of photonic, electronic and heavy particle collisions. In the symposium, particular attention will be devoted to new developments such as the employment of Free Electron Lasers FEL's for the study of dynamical, in particular time dependent phenomena, many-body effects taking place in clusters, nanostructures, molecular and biological systems, which include problems of fusion and fission, fragmentation, collective electron excitations, phase transitions, radiation damage and many more. Nonlinear phenomena in the photoionization of clusters are explored by the new excitation possibilities in the VUV and soft X-ray regime for the first time. Both experimental and theoretical aspects of cluster physics uniquely placed between nuclear physics on the one hand and atomic, molecular, and solid state physics on the other will be subjects of this symposium.
PREFACE: XXVIth International Conference on Photonic, Electronic and Atomic Collisions
Orel, Ann; Starace, Anthony F.; Nikolić, Dragan; Berrah, Nora; Gorczyca, Thomas W.; Kamber, Emanuel Y.; Tanis, John A.
2009-12-01
The XXVIth International Conference on Photonic, Electronic and Atomic Collisions was held on the campus of Western Michigan University (WMU) in Kalamazoo during 22-28 July 2009. Kalamazoo, the home of a major state university amid pleasant surroundings, was a delightful place for the conference. The 473 scientific participants, 111 of whom were students, had many fruitful discussions and exchanges that contributed to the success of the conference. Participants from 43 countries made the conference truly international in scope. The 590 abstracts that were presented on the first four days formed the heart of the conference and provided ample opportunity for discussion. This change, allowing the conference to end with invited talks, was a departure from the format used at previous ICPEAC gatherings in which the conferences ended with a poster session. The abstracts were split almost equally between the three main conference areas, i.e., photonic, electronic, and atomic collisions, and the posters were distributed across the days of the conference so that approximately equal numbers of abstracts in the different areas were scheduled for each day. Of the total number of presented abstracts, 517 of these are included in this proceedings volume, the first time that abstracts have been published by ICPEAC. There were 5 plenary lectures covering the different areas of the conference: Paul Corkum (University of Ottawa) talked on attosecond physics with atoms and molecules, Serge Haroche (Collège de France) on non-destructive photon counting, Toshiyuki Azuma (Tokyo Metropolitan University) on resonant coherent excitation of highly-charged ions in crystals, Eva Lindroth (Stockholm University) on atomic structure effects, and Alfred Müller (Justus Liebig University) on resonance phenomena in electron- and photon-ion collisions. Two speakers gave very illuminating public lectures that drew many people from the local area, as well as conference participants: Patricia Dehmer
Collision processes of highly excited hydrogen atom, 1
International Nuclear Information System (INIS)
Toshima, Nobuyuki
1977-01-01
The cross sections for the transitions 5S sub(1/2) → 5P sub(1/2), 5S sub(1/2) → 5P sub(3/2), 5P sub(1/2) → 5D sub(3/2), 5S sub(1/2) → 5D sub(3/2) and 5S sub(1/2) → 5D sub(5/2) in the hydrogen atom by proton impact are calculated on the basis of the impact parameter method. Distant collisions are dominant and the couplings among the sub-levels belonging to the same n are important at low energies, but the couplings with the levels belonging to different n's are negligibly small. The Glauber and the Born approximations are also applied to the same problem and the Glauber approximation gives a good agreement with the impact parameter method over a wide energy range down to at least about 100 eV. (auth.)
Theoretical trends in interferometry of ultrarelativistic nuclear collisions
International Nuclear Information System (INIS)
Padula, S.S.
1990-01-01
A review is made of the main concepts of interferometry, since its discovery in the mid 50's as the HBT effect, until recently, where some new approaches to the field were suggested. A few modifications on the correlation function in the case of high energy collisions are discussed and illustrated. (author)
Propensity rules for orientation in singly-charged ion-atom collisions
International Nuclear Information System (INIS)
Nielsen, S.E.; Dubois, A.; Hansen, J.P.
1990-01-01
Orientation effects for electron capture and excitation in singly-charged ion-atom collisions are analysed using the atomic basis impact parameter method with full inclusion of electron translational factors. We find that the orientation preferences previously predicted for excitation in terms of propensity rules may still be observed when capture is present in ion-atom collisions. Furthermore, in spite of intricate behaviour of the direct capture couplings during the collision, we draw some parallel conclusions for the orientation of the capture states. We illustrate these perturbative predictions by close-coupling calculations for H + -Na(3s) collisions where clear propensity for orientation of the H(2p) capture state is demonstrated in impact parameter and velocity dependences. Finally we predict pronounced orientation effects for H(2s) and H(2p) capture in collisions of H + with initially oriented Na(3p) states. (author)
Excited-state positronium formation from positron--atomic-hydrogen collisions
International Nuclear Information System (INIS)
Mandal, C.R.; Mandal, M.; Mukherjee, S.C.
1991-01-01
Positronium formation into ground and n=2 levels has been studied in collisions of positrons with atomic hydrogen in the framework of an approximation called the boundary-corrected continuum-intermediate-state (BCCIS) approximation in the energy range of 0.08--2 keV. The conventional continuum-intermediate-state approximation does not satisfy the correct boundary condition. It has been shown that, with a suitable choice of the distorting potential, the boundary condition may be satisfied with a proper account of the intermediate continuum states. It has also been shown that the BCCIS approximation leads to the same transition amplitude as may be derived using the Vainshtein-Presnyakov-Sobelman approximation. The results obtained here are found to be in good agreement when compared with other theoretical results
Proceedings of the 2nd joint seminar on atomic collisions and heavy ion induced nuclear reactions
International Nuclear Information System (INIS)
Harada, Kichinosuke; Ozawa, Kunio; Kamitsubo, H.; Nomura, T.; Awaya, Y.; Watanabe, T.
1982-11-01
The meeting of the 2nd joint seminar on atomic collisions and heavy ion induced nuclear reactions was held at the University of Tokyo, May 13 and 14, 1982. The aim of this seminar has been not only to recognize the common problems lying between above two research fields, but also to obtain an overview of the theoretical and experimental approaches to clear the current problems. In the seminar, more than 50 participants gathered and presented 16 papers. These are two general reviews and fourteen comprehensive surveys on topical subjects which have been developed very intensively in recent years. The editors would like to thank all participants for their assistance and cooperation in making possible a publication of these proceedings. (author)
Theoretical atomic physics code development III TAPS: A display code for atomic physics data
International Nuclear Information System (INIS)
Clark, R.E.H.; Abdallah, J. Jr.; Kramer, S.P.
1988-12-01
A large amount of theoretical atomic physics data is becoming available through use of the computer codes CATS and ACE developed at Los Alamos National Laboratory. A new code, TAPS, has been written to access this data, perform averages over terms and configurations, and display information in graphical or text form. 7 refs., 13 figs., 1 tab
Auto transfer to Rydberg states during ion-atom collisions
Energy Technology Data Exchange (ETDEWEB)
Bachau, H.; Harel, C. (Laboratoire des Collisions Atomiques, Unite Propre de Recherche 260 du CNRS, Universite Bordeaux I, 351 Cours de la Liberation, 33405 Talence (France)); Barat, M.; Roncin, P. (Laboratoire des Collisions Atomiques et Moleculaires, Unite associee 281 du CNRS, Universite de Paris Sud, Batiment 351, 91405 Orsay (France)); Bordenave-Montesquieu, A.; Moretto-Capelle, P.; Benoit-Cattin, P.; Gleizes, A.; Benhenni, M. (IRSAMC, Unite associee 770 du CNRS, Universite Paul Sabatier, 118 route de Narbonne, 31062 Toulouse (France))
1993-06-05
Electron capture by slow multiply charged ions colliding on rare-gas targets is known to populate highly excited states of the projectile. On the basis of experimental measurement of energy and angle differential cross-sections we have shown that capture to a resonant doubly excited state may lead to Autoionizing Double Capture (ADC) as well as to True Double Capture (TDC). In this model TDC appears as a two step post-collisional process, the state populated by the collision decays to (or delutes into) a dense adjacent Rydberg series, followed by radiative deexcitation of the inner electron of the (3,n) Rydberg states. We report here new experimental observations in electron spectra measured in [ital N][sup 7+]+[ital He]. Auto transfer to Rydber states has also important consequences on the determination of the lifetime of the autoionizing states, some discrepancies between theoretical width values for low [ital N][sup 5+](4,4) resonant states will be discussed and partially resolved.
Czech Academy of Sciences Publication Activity Database
Čurík, Roman; Paidarová, Ivana; Allan, M.; Čársky, Petr
2014-01-01
Roč. 118, č. 41 (2014), s. 9734-9744 ISSN 1089-5639 R&D Projects: GA ČR GAP208/11/0452; GA MŠk LD14088 Institutional support: RVO:61388955 Keywords : diacetylenes * electron collision * theoretical study Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.693, year: 2014
On the extension of (e,2e) theory to coincidence studies of ion-atom collisions
International Nuclear Information System (INIS)
Godunov, A.L.; Kampp, Marco; Sulik, B.; Walters, H.R.J.; Whelan, Colm T.
2007-01-01
The extension of (e,2e) theory to the coincidence studies of ion-atom collisions is considered. The simultaneous ionization of projectile and target is discussed and results are presented for transfer ionization
Mimicing Charged Particle-Atom Collisions Using Half-Cycle Electromagnetic Pulses
National Research Council Canada - National Science Library
Jones, Robert
2000-01-01
.... Demonstration and preliminary studies of free electron-ion recombination in mock collisions. Identified Stark wave packets, coherent superpositions of "stretched" atomic states as potentially useful sources of short-pulses...
Theoretical femtosecond physics atoms and molecules in strong laser fields
Grossmann, Frank
2018-01-01
This textbook extends from the basics of femtosecond physics all the way to some of the latest developments in the field. In this updated edition, the chapter on laser-driven atoms is augmented by the discussion of two-electron atoms interacting with strong and short laser pulses, as well as by a review of ATI rings and low energy structures in photo-electron spectra. In the chapter on laser-driven molecules a discussion of 2D infrared spectroscopy is incorporated. Theoretical investigations of atoms and molecules interacting with pulsed lasers up to atomic field strengths on the order of 10^16 W/cm² are leading to an understanding of many challenging experimental discoveries. The presentation starts with a brief introduction to pulsed laser physics. The basis for the non-perturbative treatment of laser-matter interaction in the book is the time-dependent Schrödinger equation. Its analytical as well as numerical solution are laid out in some detail. The light field is treated classically and different possi...
Collision-induced absorption intensity redistribution and the atomic pair polarizabilities
International Nuclear Information System (INIS)
Bulanin, M. O.
1997-01-01
A modified relation between the trace polarizability of a diatom and the S(-2) dipole sum is proposed that accounts for the effect of atomic collisions on the dipole oscillator strength distribution. Contribution to the collision-induced trace due to redistribution in the ionization continuum of Ar is evaluated and is found to be significant
Theoretical evaluation of matrix effects on trapped atomic levels
Energy Technology Data Exchange (ETDEWEB)
Das, G.P.; Gruen, D.M.
1986-06-01
We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs.
Quadery, Abrar H.; Doan, Baochi D.; Tucker, William C.; Dove, Adrienne R.; Schelling, Patrick K.
2017-10-01
The early stages of planet formation involve steps where submicron-sized dust particles collide to form aggregates. However, the mechanism through which millimeter-sized particles aggregate to kilometer-sized planetesimals is still not understood. Dust grain collision experiments carried out in the environment of the Earth lead to the prediction of a 'bouncing barrier' at millimeter-sizes. Theoretical models, e.g., Johnson-Kendall-Roberts and Derjaguin-Muller-Toporov theories, lack two key features, namely the chemistry of dust grain surfaces, and a mechanism for atomic-scale dissipation of energy. Moreover, interaction strengths in these models are parameterized based on experiments done in the Earth's environment. To address these issues, we performed atomic-scale simulations of collisions between nonhydroxylated and hydroxylated amorphous silica nanoparticles. We used the ReaxFF approach which enables modeling chemical reactions using an empirical potential. We found that nonhydroxylated nanograins tend to adhere with much higher probability than suggested by existing theories. By contrast, hydroxylated nanograins exhibit a strong tendency to bounce. Also, the interaction between dust grains has the characteristics of a strong chemical force instead of weak van der Waals forces. This suggests that the formation of strong chemical bonds and dissipation via internal atomic vibration may result in aggregation beyond what is expected based on our current understanding. Our results also indicate that experiments should more carefully consider surface conditions to mimic the space environment. We also report results of simulations with molten silica nanoparticles. It is found that molten particles are more likely to adhere due to viscous dissipation, which supports theories that suggest aggregation to kilometer scales might require grains to be in a molten state.
Electron-impact ionization of atomic ions: Theoretical results
Energy Technology Data Exchange (ETDEWEB)
Loch, S D; Burgos, J M Munoz; Ballance, C P; Ludlow, J; Lee, T-G; Fogle, M; Pindzola, M S [Auburn University, Auburn, AL 36849 (United States); Griffin, D C [Rollins College, Winter Park, FL 32789 (United States); Yumak, A; Yavuz, I; Altun, Z, E-mail: loch@physics.auburn.ed [Marmara University, Istanbul (Turkey)
2009-11-15
A brief overview is given of theoretical results for electron-impact ionization of atoms and ions. A description is given of the main theoretical methods, along with the databases where the data are archived. It is shown that for light species, ground and metastable ionization cross sections are in reasonable agreement with experiment when non-perturbative data are used for the near neutrals and distorted wave data are used for ions greater than a few times ionized. Some discrepancies between theory and experiment still remain for systems with open d and open p subshells. The sensitivity of ionization rate coefficients to the near threshold part of the ionization cross section is shown. The role of excited states in effective ionization rate coefficients is demonstrated and recent excited state ionization cross section results for H, He, He{sup +}, B{sup 2+} and Ne are presented.
Atomic excitation and molecular dissociation by low energy electron collisions
International Nuclear Information System (INIS)
Weyland, Marvin
2016-01-01
In this work, momentum imaging experiments have been conducted for the electron impact excitation of metastable states in noble gases and for dissociative electron attachment (DEA) in polyatomic molecules. For the electron impact excitation study a new experimental technique has been developed which is able to measure the scattering angle distribution of the electrons by detection of the momentum transfer to the atoms. Momentum transfer images have been recorded for helium and neon at fixed electron impact energy close to the excitation threshold and good agreement with current R-matrix theory calculations was found. A new momentum imaging apparatus for negative ions has been built for the purpose of studying DEA in biologically relevant molecules. During this work, DEA was investigated in the molecules ammonia, water, formic acid, furan, pyridine and in two chlorofluorocarbons. Furthermore, the change of DEA resonance energies when molecules form clusters compared to monomers was investigated in ammonia and formic acid. The experimental results of most studied molecules could be compared to recent theoretical calculations and they support further development in the theoretical description of DEA. The new apparatus built in this work also delivered a superior momentum resolution compared to existing setups. This allows the momentum imaging of heavier fragments and fragments with lower kinetic energy.
Atomic excitation and molecular dissociation by low energy electron collisions
Energy Technology Data Exchange (ETDEWEB)
Weyland, Marvin
2016-11-16
In this work, momentum imaging experiments have been conducted for the electron impact excitation of metastable states in noble gases and for dissociative electron attachment (DEA) in polyatomic molecules. For the electron impact excitation study a new experimental technique has been developed which is able to measure the scattering angle distribution of the electrons by detection of the momentum transfer to the atoms. Momentum transfer images have been recorded for helium and neon at fixed electron impact energy close to the excitation threshold and good agreement with current R-matrix theory calculations was found. A new momentum imaging apparatus for negative ions has been built for the purpose of studying DEA in biologically relevant molecules. During this work, DEA was investigated in the molecules ammonia, water, formic acid, furan, pyridine and in two chlorofluorocarbons. Furthermore, the change of DEA resonance energies when molecules form clusters compared to monomers was investigated in ammonia and formic acid. The experimental results of most studied molecules could be compared to recent theoretical calculations and they support further development in the theoretical description of DEA. The new apparatus built in this work also delivered a superior momentum resolution compared to existing setups. This allows the momentum imaging of heavier fragments and fragments with lower kinetic energy.
International Nuclear Information System (INIS)
Beck, W.A.
2000-01-01
The semiclassical model of atomic collisions, especially in different areas of the maximum stopping, when proton collides at the velocity of the boron order velocity, providing as the result for interactions of many bodies with an electron target, enabling application of the model with high degree of confidence to a clearly expressed experimental problem, such the antiproton capture on helium, is presented. The semiclassical collision model and stopping energy are considered. The stopping and capture of negatively-charged particles are investigated. The capture and angular moments of antiprotons, captures at the end of the collision cascade, are presented [ru
Overview on collision processes of highly charged ions with atoms present status and problems
International Nuclear Information System (INIS)
Janev, R.K.
1983-05-01
This paper provides a brief discussion on the present status of the collision physics of highly charged ions with atoms. The emphasis is on the main achievements in understanding and describing the most important collision processes, and as charge transfer, ionization and Auger-type processes, and even more on those open problems which, due either to their scientific or practical importance, represent challenges to current research in this field. The paper concentrates on general ideas and problems whose development and solutions have advanced or will advance our basic understanding of the collision dynamics of multiply charged ions with atoms
Charge exchange and ionization of atoms in collisions with multicharged ions
International Nuclear Information System (INIS)
Presnyakov, L.P.; Uskov, D.B.
1987-01-01
Single-electron transition in continuous and discrete spectra, induced by A atom and B +2 multicharged ion collision with the charge Z>3 are investigated. A theory of quantum transitions in multilevel systems with ion-atom collisions is considered. Main results on charge exchange in slow (v 0 Z 1/2 ) collisions are presented. For analysis of charge exchange analytical method, being generalization of decay model and of approximation of nonadiabatic coupling of two states, that are included into a developed approach as limiting cases, is developed. The calculation results are compared with the available experimental data
Theoretical femtosecond physics atoms and molecules in strong laser fields
Grossmann, Frank
2013-01-01
Theoretical investigations of atoms and molecules interacting with pulsed or continuous wave lasers up to atomic field strengths on the order of 10^16 W/cm² are leading to an understanding of many challenging experimental discoveries. This book deals with the basics of femtosecond physics and goes up to the latest applications of new phenomena. The book presents an introduction to laser physics with mode-locking and pulsed laser operation. The solution of the time-dependent Schrödinger equation is discussed both analytically and numerically. The basis for the non-perturbative treatment of laser-matter interaction in the book is the numerical solution of the time-dependent Schrödinger equation. The light field is treated classically, and different possible gauges are discussed. Physical phenonema, ranging from Rabi-oscillations in two-level systems to the ionization of atoms, the generation of high harmonics, the ionization and dissociation of molecules as well as the control of chemical reactions are pre...
Theoretical atomic physics for fusion: 1988 annual report
International Nuclear Information System (INIS)
Pindzola, M.S.
1988-01-01
This paper discusses progress in atomic physics in the following areas: Electron-impact ionization of atomic ions; electron-impact excitation of atomic ions; Dielectronic recombination of atomic ions; and relativistic effects on electron-ion scattering
Binary collision rates of relativistic thermal plasmas. I Theoretical framework
Dermer, C. D.
1985-01-01
Binary collision rates for arbitrary scattering cross sections are derived in the case of a beam of particles interacting with a Maxwell-Boltzmann (MB) plasma, or in the case of two MB plasmas interacting at generally different temperatures. The expressions are valid for all beam energies and plasma temperatures, from the nonrelativistic to the extreme relativistic limits. The calculated quantities include the reaction rate, the energy exchange rate, and the average rate of change of the squared transverse momentum component of a monoenergetic particle beam as a result of scatterings with particles of a MB plasma. Results are specialized to elastic scattering processes, two-temperature reaction rates, or the cold plasma limit, reproducing previous work.
Dissociative excitation of lithium atom in electron collisions with LiBr molecules
International Nuclear Information System (INIS)
Smirnov, Yu.M.
1998-01-01
Effective cross sections of the lithium atom dissociative excitation in electron collisions with the LiBr molecules are measured. The measurement error equals 5-12%. The optical functions of the lithium atom dissociative excitation are calculated on the basis of the data obtained
''Atomic'' Bremsstrahlung or polarizational radiation in collision of many-electron ions
International Nuclear Information System (INIS)
Amusia, M.Ya.; Solov'yov, A.V.
1991-01-01
In this work the so-called ''Atomic'' bremsstrahlung (AB) or polarizational radiation, created in collisions of atoms or ions, is discussed. This kind of radiation arises due to the polarization of the electron shell of colliding particles. It is created by the structured projectiles and targets if the constituents are electrically charged. 6 refs, 2 figs
Multiple electron capture in close ion-atom collisions
International Nuclear Information System (INIS)
Schlachter, A.S.
1987-10-01
Multiple electron capture is reported for Ca 17+ in Ar. Close collisions are defined by the observation of a coincident Ca K or Ar K x-ray. A large number of electrons is transferred to the projectile in a single close collision when the Ca ion projectile is of the order of the Ar L-shell electron velocity. The cross section for electron capture is reported
International Nuclear Information System (INIS)
Bayhan, U.
2004-01-01
The collisional dissociation of the Atom-Surface bond in the diatomic molecule (gas) / atom (ads) collision taking place on a bcc-structure surface have been studied by classical trajectory methods over the collision energy ranges and the attractive well depth of the diatomic molecule (gas) / atom (ads) interactions
International Nuclear Information System (INIS)
Mueller, C.; Gruen, N.; Voitkiv, A.B.
2002-01-01
We study single- and double-electron loss from heavy heliumlike projectiles in ultrarelativistic collisions with neutral many-electron target atoms. The simultaneous interaction of the target with two projectile electrons is found to be the dominant process in the double-electron loss provided the atomic number of the projectile, Z p , that of the target, Z t , and the collision velocity, v, satisfy the condition Z p Z t /v>0.4. It is shown that for a wide range of projectile and target atomic numbers the asymptotic double-to-single loss ratio strongly depends on the target atomic number but is nearly independent of the nuclear charge of the projectile. It is also demonstrated that many-photon exchange between the target and each of the projectile electrons considerably influences the double loss in collisions with very heavy targets
Atomic and electronic structure of surfaces theoretical foundations
Lannoo, Michel
1991-01-01
Surfaces and interfaces play an increasingly important role in today's solid state devices. In this book the reader is introduced, in a didactic manner, to the essential theoretical aspects of the atomic and electronic structure of surfaces and interfaces. The book does not pretend to give a complete overview of contemporary problems and methods. Instead, the authors strive to provide simple but qualitatively useful arguments that apply to a wide variety of cases. The emphasis of the book is on semiconductor surfaces and interfaces but it also includes a thorough treatment of transition metals, a general discussion of phonon dispersion curves, and examples of large computational calculations. The exercises accompanying every chapter will be of great benefit to the student.
International Nuclear Information System (INIS)
Misra, Deepankar; Thulasiram, K.V.; Fernandes, W.; Kelkar, Aditya H.; Kadhane, U.; Kumar, Ajay; Singh, Yeshpal; Gulyas, L.; Tribedi, Lokesh C.
2009-01-01
We study electron emission from atoms and molecules in collisions with fast electrons and heavy ions (C 6+ ). The soft collision electrons (SE), two center electron emission (TCEE), the binary encounter (BE) events and the KLL Auger lines along with the elastically scattered peaks (in electron collisions) are studied using a hemispherical electrostatic electron analyzer. The details of the measurements along with description of the spectrometer and data acquisition system are given. The angular distributions of the low energy (few eV) electrons in soft collisions and the binary encounter electrons at keV energies are compared with quantum mechanical models based on the first Born (B1) and the continuum distorted wave-Eikonal initial state approximation (CDW-EIS).
Theoretical studies of the reactions of HCN with atomic hydrogen
International Nuclear Information System (INIS)
Bair, R.A.; Dunning, T.H. Jr.
1985-01-01
A comprehensive theoretical study has been made of the energetics of the important pathways involved in the reaction of hydrogen atoms with hydrogen cyanide. For each reaction ab initio GVB-CI calculations were carried out to determine the structures and vibrational frequencies of the reactants, transition states, and products; then POL-CI calculations were carried out to more accurately estimate the electronic contribution to the energetics of the reactions. The hydrogen abstraction reaction is calculated to be endoergic by 24 kcal/mol [expt. ΔH (0 K) = 16--19 kcal/mol] with a barrier of 31 kcal/mol in the forward direction and 6 kcal/mol in the reverse direction. For the hydrogen addition reactions, addition to the carbon atom is calculated to be exoergic by 19 kcal/mol with a barrier of 11 kcal/mol, while addition to the nitrogen center is essentially thermoneutral with a barrier of 17 kcal/mol. Calculations were also carried out on the isomerization reactions of the addition products. The cis→trans isomerization of HCNH has a barrier of only 10 kcal/mol with the trans isomer being more stable by 5 kcal/mol. The (1,2)-hydrogen migration reaction, converting H 2 CN to trans-HCNH, is endoergic by only 14 kcal/mol, but the calculated barrier for the transfer is 52 kcal/mol. The energy of the migration pathway thus lies above that of the dissociation--recombination pathway
Outer-shell transitions in collisions between multiply charged ions and atoms
International Nuclear Information System (INIS)
Bloemen, E.W.P.
1980-01-01
The study of collisions between multiply charged ions and atoms (molecules) is of importance in different areas of research. Usually, the most important process is capture of an electron from the target atom into the projectile ion. In most cases the electron goes to an excited state of the projectile ion. These electron capture processes are studied. The author also studied direct excitation of the target atom and of the projectile ion. (Auth.)
International Nuclear Information System (INIS)
Kvale, T.J.
1989-01-01
The main emphasis of this research effort is the simultaneous study of several of the scattering processes that occur in negative ion-atom collisions. These include: elastic scattering, target excitation/ionization, single electron detachment, and double electron detachment. The measurements will provide absolute total and differential cross sections for the aforementioned processes. These are extremely valuable in providing stringent tests of the approximations used in the various theoretical calculations. This period covers the first year of the grant and the vast majority of the activity was directed toward construction of the apparatus needed to carry out the proposed measurements. Progress toward these goals are summarized. 2 refs., 1 fig
Systematics in Rydberg state excitations for ion-atom collisions
International Nuclear Information System (INIS)
Andresen, B.; Jensen, K.; Petersen, N.B.; Veje, E.
1976-01-01
Rydberg state excitations in the Ne + , Mg + -He collisions have been studied in the projectile energy range 10-75 keV by means of optical spectrometry in a search for systematic trends. The relative excitation cross sections for levels of a Rydberg term series are found to follow a general (nsup(x))sup(P) behaviour with P < approximately -3 varying with collision energy and particles, regardless of whether the excited state population results from direct excitation, single electron transfer, or double electron transfer. At higher collision energies P is approximately -3 as predicted by theory. Polarization of the emitted line radiation indicates that there is no general rule for the relative excitation of the different magnetic substates of the same level. A statistical distribution of excitation is found for levels within the same term when the fine structure splitting is small. (Auth.)
Investigation of the intermediate LK molecular orbital radiation in heavy ion-atom collisions
International Nuclear Information System (INIS)
Frank, W.; Kaun, K.-H.; Manfrass, P.
1981-01-01
The continuum consisting of an intensive low-energy and a high-energy components in heavy-ion atom collision systems with atomic numbers Z 1 , Z 2 > 28 is studied. The aim of the study is to prove that the C1 continuum cannot be caused by ridiative electron capture (REC) being molecular orbital (MO) radiation to the 2ptau level. It is shown that the comparison of the C1 yields obtained in Kr+Nb asymmetric collisions in gas and solid targets is associated with the formation of vacancies in the lower-Z collision partner and can be interpreted as quasimolecular radiation to the 2ptau orbital level. The strong suppression of the C2 component in the gas target experimets indicates that the MO radiation to the 1stau orbit is emitted preferentially in the two-collision process in symmetric and near-symmetric systems with Z 1 , Z 2 [ru
Analysis and manipulation of atomic and molecular collisions using laser light
International Nuclear Information System (INIS)
Grimpe, A.
2006-01-01
Optical collisions in a crossed beam experiment are examined for the atomic collision pairs LiHe, LiNe, NaNe. Differential cross sections are measured in order to probe the quality of quantum chemical calculated and spectroscopical determined molecular potentials. The linear polarization of the excitation laser is used to manipulate the contrast of the differential cross sections for NaNe. Using elliptical polarized light total control over the angular position and the contrast of the interference pattern is demonstrated. Differential cross sections for the collision pairs LiH 2 and LiD 2 show a pronounced oscillatory structure, which for the first time is observed for atom-molecule optical collisions. (orig.)
n l -> n' l' transition rates in electron and proton - Rydberg atom collision
Vrinceanu, Daniel
2017-04-01
Electrons and protons drive the recombination dynamics of highly excited Rydberg atoms in cold rarefied plasmas found in astrophysical conditions such as primordial recombination or star formation in H-II clouds. It has been recognized that collisions induce both energy and angular momentum transitions in Rydberg atoms, although in different proportions, depending on the initial state, temperature and the given species considered in the collision (electron or proton). Most studies focused on one collision type at a time, under the assumption that collision types are independent or their effects are not competing. The classical Monte-Carlo trajectory simulations presented in this work calculate the rates for both energy and angular momentum transfers and show their interdependence. For example, energy transfer with small angular momentum change are more efficient for target states with initial large angular momentum. The author acknowledges support received from the National Science Foundation through a Grant for the Center for Research on Complex Networks (HRD-1137732).
Computer simulation of atomic collision processes in solids
International Nuclear Information System (INIS)
Robinson, M.T.
1992-11-01
Computer simulation is a major tool for studying the interactions of swift ions with solids which underlie processes such as particle backscattering, ion implantation, radiation damage, and sputtering. Numerical models are classed as molecular dynamics or binary collision models, along with some intermediate types. Binary collision models are divided into those for crystalline targets and those for structureless ones. The foundations of such models are reviewed, including interatomic potentials, electron excitations, and relationships among the various types of codes. Some topics of current interest are summarized
International Nuclear Information System (INIS)
Errea, L.F.; Mendez, L.; Riera, A.
1991-01-01
To offset the defective behavior of the molecular method of atomic collisions at intermediate energies, we propose a method to approximate the probability flux towards continuum and discrete states not included in the molecular basis. We check the degree of accuracy and limitations of the method for a model case where transition probabilities can be calculated exactly. An application to the benchmark case of He + +H + collisions is also presented, and yields complementary information on the properties of this approach
K-Vacancy Production in the Collision of Highly Charged Relativistic Ions With Heavy Atoms
KHABIBULLAEV, P. K.
2014-01-01
A general expression for the cross section of the inelastic collision of relativistic highly charged ion with heavy (relativistic) atoms is obtained using the generalized eikonal approximation. In the ultrarelativistic limit, the obtained formula coincides with a known exact one. As an application of the obtained result, probability and cross section of the K-vacany production in the U92+ - U91+ collision are calculated.
Free-parameterless model of high energy particle collisions with atomic nuclei
International Nuclear Information System (INIS)
Strugalski, Z.
1982-01-01
In result of studies, it has been discovered that: a) Intensive emission of fast nucleons of kinetic energy from 20 to 400 MeV proceeds independently of the pion production process; b) The particle production in hadron-nucleon collisions is mediated by intermediate objects produced first in a 2 → 2 type endoergic reaction and decaying after lifetime tausub(g) > or approximately 10 - 22 s into commonly known resonances and particles; c) Inside of massive enough atomic nuclei quasi-onedimensional cascades of the intermediate objects can develop; d) A definite simple connection exists between the characteristics of the secondaries appearing in hadron-nucleus collision events and corresponding hadron-nucleon collision events, the target-nucleus size and the nucleon density distribution in it. The yield of the hadron-nucleus collisions is described in a convincing manner in terms of the hadron-nucleon collision data by means of simple formulas
International Nuclear Information System (INIS)
Kuzminski, J.
1980-01-01
The collective processes in collision of heavy-ions with atomic nuclei are discussed. Measured data on the S+Ti collision at Esub(LAB)=105, 130 and 144 MeV have been analysed in terms of a ''fission-like'' processes which seem to be a special case of deep inelastic collisions whose total available kinetic energy is completely dissipated. Applying transport theory it was possible to introduce a ''clock'' for measuring the time scale of nuclear processes in collision of heavy-ions by measuring the FWHM of mass distribution of emitted reaction products. Experimental data on continuum gamma spectra from Cu+Au collision at Esub(LAB)=400 MeV are presented and the angular momentum dissipation in this reaction is discussed. (author)
Assessment of ion-atom collision data for magnetic fusion plasma edge modelling
International Nuclear Information System (INIS)
Phaneuf, R.A.
1990-01-01
Cross-section data for ion-atom collision processes which play important roles in the edge plasma of magnetically-confined fusion devices are surveyed and reviewed. The species considered include H, He, Li, Be, C, O, Ne, Al, Si, Ar, Ti, Cr, Fe, Ni, Cu, Mo, W and their ions. The most important ion-atom collision processes occurring in the edge plasma are charge-exchange reactions. Excitation and ionization processes are also considered. The scope is limited to atomic species and to collision velocities corresponding to plasma ion temperatures in the 2-200 eV range. Sources of evaluated or recommended data are presented where possible, and deficiencies in the data base are indicated. 42 refs., 1 fig., 4 tabs
Absorption of resonant electromagnetic radiation in electron-atom collisions
International Nuclear Information System (INIS)
Arslanbekov, T.U.; Pazdzerskii, V.A.; Usachenko, V.I.
1986-01-01
Nonrelativistic quantum theory is used to study the possibility of amplification of electromagnetic radiation in forced braking scattering of an electron beam on atoms. The interaction of the atom with the electromagnetic field is considered in the resonant approximation. Cases of large and small detuning from resonance are considered. It is shown that for any orientation of the electron beam relative to the field polarization vector, absorption of radiation occurs, with the major contribution being produced by atomic electrons
Pseudo potentials and model potentials in atomic collisions
International Nuclear Information System (INIS)
Reyes, O.; Jouin, H.; Fuentealba, P.
1988-01-01
In this work, it is discussed the main differences between the use of pseudo-potentials and model potentials in collision problems . It is shown the potential energy curves for distinct systems obtained with both kinds of potentials. (A.C.A.S.) [pt
Electron emission in collisions of intermediate energy ions with atoms
International Nuclear Information System (INIS)
Garibotti, C.R.
1988-01-01
The aim of this work, is the analysis of the processes of electronic emission produced in the collisions of small ions (H + , He ++ ) of intermediate energy (50 a 200 KeV/amu) with light gaseous targets. (A.C.A.G.) [pt
International Nuclear Information System (INIS)
Lane, N.F.
1989-01-01
The theoretical atomic and molecular physics program at Rice University addresses basic questions about the collision dynamics of electrons, atoms, ions and molecules, emphasizing processes related to possible new energy technologies and other applications. The program focuses on inelastic collision processes that are important in understanding energy and ionization balance in disturbed gases and plasmas. Emphasis is placed on systems and processes where some experimental information is available or where theoretical results may be expected to stimulate new measurements. Examples of current projects include: excitation and charge-transfer processes; orientation and alignment of excited states following collisions; Rydberg atom collisions with atoms and molecules; Penning ionization and ion-pair formation in atom-atom collisions; electron-impact ionization in dense, high-temperature plasmas; electron-molecule collisions; and related topics
Charge transfer and excitation in high-energy ion-atom collisions
International Nuclear Information System (INIS)
Schlachter, A.S.; Berkner, K.H.; McDonald, R.J.
1986-11-01
Coincidence measurements of charge transfer and simultaneous projectile electron excitation provide insight into correlated two-electron processes in energetic ion-atom collisions. Projectile excitation and electron capture can occur simultaneously in a collision of a highly charged ion with a target atom; this process is called resonant transfer and excitation (RTE). The intermediate excited state which is thus formed can subsequently decay by photon emission or by Auger-electron emission. Results are shown for RTE in both the K shell of Ca ions and the L shell of Nb ions, for simultaneous projectile electron loss and excitation, and for the effect of RTE on electron capture
Theoretical study of alignment and orientation of n = 2 levels in Li++He collision
International Nuclear Information System (INIS)
Courbin, C.; Sidis, V.
1986-01-01
The determination of alignment and orientation parameters from differential cross section measurements involving the photon-particle coincidence technique prompts theory to investigate a wide variety of electronic transitions both at small and large distances of approach between the collision partners. A theoretical model is presented with a view to explaining alignment and orientation phenomena related to Li + +He*(2 1 P) excitation and Li*(2 2 P)+He + charge exchange excitation in the prototype Li + +He collision. The corresponding discussion is illustrated using a recent ab initio study by the authors [fr
Topics relating to atomic collisions in dilute Bose-Einstein condensates
International Nuclear Information System (INIS)
Roberts, David C.
2002-01-01
In this thesis, we investigate various aspects of applications and limitations arising from atomic collisions in dilute Bose-Einstein condensates. First, we investigate the relative particle number squeezing produced in the excited states of a dilute condensate at zero temperature using stimulated light scattering. We show that a modest number of relative number squeezed particles can be achieved when atoms, produced in pairs through collisions in the condensate, are scattered out by their interaction with the lasers. This squeezing is optimal when the momentum is larger than the inverse healing length. This modest number of relative number squeezed particles has the potential to be amplified in four-wave-mixing experiments. We study the limitations on the relative number squeezing between photons and atoms coupled out from a homogeneous Bose-Einstein condensate. We consider the coupling between the translational atomic states by two photon Bragg processes, one of the photon modes involved in the Bragg process being in a coherent state, and the other initially unpopulated. We start with an interacting condensate at zero temperature and compute the time evolution for the system. We discuss how collisions between the atoms and photon rescattering affect the degree of squeezing which may be reached in such experiments. We investigate the limitations arising from atomic collisions on the storage and delay times of probe pulses in EIT experiments. We find that the atomic collisions can be described by an effective decay rate that limits storage and delay times. We calculate the momentum and temperature dependence of the decay rate and find that it is necessary to excite atoms to a particular momentum depending on temperature and spacing of the energy levels involved in order to minimize the decoherence effects of atomic collisions. Finally, we propose a method to probe states in the Mott insulator regime produced from a condensate in an optical lattice. We consider a
Atomic collisions by neutrons-induced charged particles in water, protein and nucleic acid
International Nuclear Information System (INIS)
Bergman, R.
1976-01-01
The action of slow charged particles is peculiar in that atomic collisions are commonly invlolved. In atomic collisions, which are rare events when fast particles interact with matter, displacement of atoms and chemical bond-breakage is possible. Sufficiently energetic neutrons generate charged recoil particles in matter. Some of these are slow as compared to orbital electrons, but the energy transferred to such slow particles is generally relatively small. Yet, it contributes significantly to the dose absorbed from 0.1-30 keV neutrons. In tissue all recoils induced by neutrons of less than 30 keV are slow, and above 0.1 keV the absorbed dose due to collisiondominates over that due to capture reactions. The aim of the present paper is to identify those intervals of neutron energy in which atomic collision damage is most probable in living matter. The results of calculations presented here indicate that atomic collisions should be most significant for 0.5-3 keV neutrons. (author)
Binary encounter electron production in ion-atom collisions
International Nuclear Information System (INIS)
Grabbe, S.; Bhalla, C.P.; Shingal, R.
1993-01-01
The binary encounter electrons are produced by hard collisions between the target electrons and the energetic projectiles. Richard et al. found the measured double differential cross section for BEe production at zero degree laboratory scattering angle, in collisions of F q+ with H 2 and He targets, to increase as the charge state of the projectile was decreased. The binary encounter electron production has recently been a subject of detailed investigations. We have calculated the differential elastic scattering cross sections of electrons from several ions incorporating the exchange contribution of the continuum and the bound orbitals in addition to the static potential. The double differential binary encounter electron production cross sections are presented using the impulse approximation
Double electron transfer in ion-atom collisions
International Nuclear Information System (INIS)
Martinez, A.E
1990-01-01
Continuum distorted wave (CDW) and CDW-EIS (electron-ion scattering) approximations are used to study the resonant double capture by collision of alpha particles on He targets for intermediate and high energies. Calculations of total cross-sections based on the Independent Event Approximation are presented. A good agreement with experimental results was found, even without the inclusion of the dynamic and angular correlation of captured electrons. (Author). 11 refs., 1 fig
Nonlinear effect of pion production in collisions of atomic nuclei
International Nuclear Information System (INIS)
Grin', Yu.T.
1982-01-01
The phenomenon of pion production in relativistic nucleon-nucleus and nucleus-nucleus interactions is investigated. The present experimental data are analyzed. It is shown that average multiplicity of pions in the (p, C), (C, C) collision reactions with the momentum p=4.2 GeV/cA and (p, Ar), (Ar, KCl) with the momentum p=2.3 GeV/cA non-linearly depends on the nucleon number. The calculated values of average multiplicity of negative pions per one nucleon of nucleus-pro ectile, probability of pion production and number of nucleon interactions for the investigated reactions are presented as a table. A comparative analysis of average multiplicities of pions per nucleon-participant in the nucleon-nucleus and nucleus-nucleus reactions at the p=2.3 GeV/cA momentum for argon and at the p=4.2 GeV/cA for carbon reveals that decrease of multiplicity by 30-35% is observed in nucleus-nucleus collision. Non-linearity is associated with decrease of effective interaction of each incident nucleon in the collision of nuclei as compared with the number of nucleon interactions in the ''elementary'' nucleon-nucleus reaction. Knock-out of nucleons from the colliding nuclei is the most probable reason for the decrease of the number of interactions
Superheavy nuclei and quasi-atoms produced in collisions of transuranium ions
International Nuclear Information System (INIS)
Zagrebaev, V.; Oganessian, Y.; Itkis, M.; Greiner, W.
2005-01-01
, may remain in contact rather long time. This time delay (up to 10 -19 s) could significantly increase the yield of the so-called spontaneous positron emission from super-strong electric field of quasi-atoms by a static QED process (transition from neutral to charged QED vacuum). This effect was searched sometime ago at GSI but no clear evidences of it have been found. New experiments may be performed now based on our new knowledge of collision dynamics of these nuclei. About twenty years ago damped collisions of very heavy nuclei have been used also for production of chemically separated long-lived actinides. The cross sections were found to be exponentially decreasing with increase of a charge number of heavier fragment, up to the level of 0.1 μb for production of Md isotopes in U + Cm collisions. A new effect, which we found here, is the 'inverse quasi-fission' process. In this process a superheavy nuclear system, say Th + Cf, travelling over the multidimensional potential energy surface, changes its mass asymmetry and may fall into the so-called lead valley. If Th comes to Pb, then Cf grows to the element 106. In spite of rather high excitation energy and low survival probability of residual fragments, this effect significantly increases the yield of nuclei complementary to lead and give us a new way for production of neutron rich (more close to the island of stability) superheavy elements in addition to the extensively used complete fusion reactions. These and some other prospects of subsequent theoretical and experimental studies along with possible collaborations in the field will be discussed in the talk
Hydrogen atom as test field of theoretical models
International Nuclear Information System (INIS)
Baiquni, A.
1976-01-01
Semi classical theory, covering Bohr atom theory, Bohr Sommerfeld theory, Sommerfeld relativistic theory, and quantum theory such as particle and complementarity dualism, wave mechanics, approximation method, relativistic quantum mechanics, and hydrogen atom fine structure, are discussed. (SMN)
International Nuclear Information System (INIS)
Kvale, T.J.
1994-01-01
This report describes the progress made on the research objectives during the past three years of the grant. This research project is designed to study various scattering processes which occur in H - collisions with atomic (specifically, noble gas and atomic hydrogen) targets in the intermediate energy region. These processes include: elastic scattering, single- and double-electron detachment, and target excitation/ionization. For the elastic and target inelastic processes where H - is scattered intact, the experimental technique of Ion Energy-Loss Spectroscopy (IELS) will be employed to identify the final target state(s). In most of the above processes, cross sections are unknown both experimentally and theoretically. The measurements will provide total cross sections (TCS) initially, and once the angular positioning apparatus is installed, will provide angular differential cross sections (ADCS)
16. International Conference on Atomic Collisions in Solids. Book of abstracts
Energy Technology Data Exchange (ETDEWEB)
Paul, H; Bauer, P; Semrad, D [ed.; Johannes Kepler Univ., Linz (Austria). Inst. fuer Experimentalphysik
1996-12-31
In this conference book of abstracts the following topics are treated: The interaction of atomic, molecular or ion beams with surfaces of solid metals and crystals, scattering and collisions, ion bombardment, ion channeling, energy losses and charge exchange, thin films, secondary emission, the Auger effect, sputtering of particles and atomic and molecular clusters. Thereby not only experimental results are presented but also computerized simulation methods are applied. (Suda).
16. International Conference on Atomic Collisions in Solids. Book of abstracts
International Nuclear Information System (INIS)
Paul, H.; Bauer, P.; Semrad, D.
1995-01-01
In this conference book of abstracts the following topics are treated: The interaction of atomic, molecular or ion beams with surfaces of solid metals and crystals, scattering and collisions, ion bombardment, ion channeling, energy losses and charge exchange, thin films, secondary emission, the Auger effect, sputtering of particles and atomic and molecular clusters. Thereby not only experimental results are presented but also computerized simulation methods are applied. (Suda)
Charge exchange of excited mesic atoms of hydrogen isotopes in triple collisions with molecules
International Nuclear Information System (INIS)
Men'shikov, L.I.; Ponomarev, L.I.
1985-01-01
At high densities of deuterium-tritium mixture the probability for the occurrence of the isotope-exchange reaction (dμ)/sub n/+t → d+(tμ)/sub n/ from the excited states of n mesic atoms of deuterium is high in the triple collisions of mesic atoms with the molecules of hydrogen isotopes. This reaction should be taken into account in describing the kinetics of muon catalysis
Few electron transitions in atomic collisions. Final report, September 1, 1992--December 31, 1995
Energy Technology Data Exchange (ETDEWEB)
McGuire, J.
1997-04-01
During the past three years we have evaluated probabilities and cross sections for few and multiple electron transitions in atomic collisions. Our studies included interactions of atoms and molecules with incident protons, bare ions, electrons, positrons, anti-protons, ions carrying electrons and photons. We also: studied the inter-relation between collisions with charged particles and collisions involving various processes with photons. This work has complemented various studies of collisions of atoms with charged particles and with photons as well as more general efforts to understand the nature of multi-electron systems. Our aim has been to begin with relatively simple two electron systems and to focus on fast processes in which there is too little time for complicated processes to occur. We have used a variety of computational techniques, but we emphasize those appropriate for fast collisions in which we hope to obtain insight into the physical nature of the process itself. We generally considered systems in which experimental data was available.
International Nuclear Information System (INIS)
Kusakabe, Toshio; Sakaue, Hiroyuki A.; Tawara, Hiroyuki
2011-01-01
Charge-transfer cross sections in collisions of H + ions with the ground state He, Ar, Kr, and Xe atoms have been measured in the energy range below 4.0 keV with the initial growth rate method. These observed cross sections are also compared with previously published experimental data and theoretical predictions. In the He and Ar targets, it is found that some previous experimental data deviate significantly from the present observed cross sections as the collision energy decreases. It has been found that in the Kr and Xe targets, the energy dependence of the present observed cross sections behaves as “near-resonant” charge transfer. (author)
Theoretical study of adsorption of lithium atom on carbon nanotube
Directory of Open Access Journals (Sweden)
Masato Senami
2011-12-01
Full Text Available We investigate the adsorption of lithium atoms on the surface of the (12,0 single wall carbon nanotube (SWCNT by using ab initio quantum chemical calculations. The adsorption of one lithium atom on the inside of this SWCNT is favored compared to the outside. We check this feature by charge transfer and regional chemical potential density. The adsorption of multiple lithium atoms on the interior of the SWCNT is studied in terms of adsorption energy and charge transfer. We show that repulsive force between lithium atoms destabilizes a system for the large number of lithium atoms.
Charge Transfer Processes in Collisions of Si4+ Ions with He Atoms at Intermediate Energies
Suzuki, R.; Watanabe, A.; Sato, H.; Gu, J. P.; Hirsch, G.; Buenker, R. J.; Kimura, M.; Stancil, P. C.
Charge transfer in collisions of Si4+ ions with He atoms below 100 keV/u is studied by using a molecular orbital representation within both the semiclassical and quantal representations. Single transfer reaction Si4++He →Si3++He+ has been studied by a number of theoretical investigations. In addition to the reaction (1), the first semiclassical MOCC calculations are performed for the double transfer channel Si4++HE→Si2++He2+ Nine molecular states that connect both with single and double electron transfer processes are considered in the present model. Electronic states and corresponding couplings are determined by the multireference single- and double- excitation configuration interaction method. The present cross sections tie well with the earlier calculations of Stancil et al., Phys. Rev. A 55, 1064 (1997) at lower energies, but show a rather different magnitude from those of Bacchus-Montabonel and Ceyzeriat, Phys. Rev. A 58, 1162 (1998). The present rate constant is found to be significantly different from the experimental finding of Fang and Kwong, Phys. Rev. A 59, 342 (1996) at 4,600 K, and hence does not support the experiment.
Electron capture in collisions of Si3+ ions with atomic hydrogen from low to intermediate energies
Liu, C. H.; Liu, L.; Wang, J. G.
2014-07-01
The electron capture process for the Si3+(3s) + H(1s) collisions is investigated by the quantum-mechanical molecular orbital close-coupling (MOCC) method and by the two-center atomic orbital close-coupling (AOCC) method in the energy range of 10-5-10 keV/u and 0.8-200 keV/u, respectively. Total and state-selective cross sections are presented and compared with the available theoretical and experimental results. The present MOCC and AOCC results agree well with the experimental measurements, but show some discrepancy with the calculations of Wang et al. [Phys. Rev. A 74, 052709 (2006), 10.1103/PhysRevA.74.052709] at E > 40 eV/u because of the inclusion of rotational couplings, which play important roles in the electron capture process. At lower energies, the present results are about three to five times smaller than those of Wang et al. due to the difference in the molecular data at large internuclear distances. The energy behaviors of the electron capture cross sections are discussed on the basis of identified reaction mechanisms.
Beams made of twisted atoms: A theoretical analysis
Energy Technology Data Exchange (ETDEWEB)
Hayrapetyan, Armen [Physikalisches Institut, Ruprecht-Karls-Universitaet Heidelberg, 69120 Heidelberg (Germany); Matula, Oliver [Physikalisches Institut, Ruprecht-Karls-Universitaet Heidelberg, 69120 Heidelberg (Germany); GSI Helmholtzzentrum fuer Schwerionenforschung, 64291 Darmstadt (Germany); Surzhykov, Andrey [Helmholtz-Institut Jena, 07743 Jena (Germany); Fritzsche, Stephan [Helmholtz-Institut Jena, 07743 Jena (Germany); Theoretisch-Physikalisches Institut, Friedrich-Schiller-Universitaet Jena, 07743 Jena (Germany)
2014-07-01
We have analyzed Bessel beams of two-level atoms that are driven by a linearly polarized laser light. Based on the Schroedinger equation for two-level systems, we first determine the states of two-level atoms in a plane-wave field by taking into account propagation directions both of the atom and the field. For such laser-driven two-level atoms, we construct Bessel beams by going beyond the typical paraxial approximation. In particular, we show that the probability density of these atomic beams exhibits a non-trivial, Bessel-squared-type behavior. The profile of such twisted atoms is affected by atom and laser parameters, such as the nuclear charge, atom velocity, laser frequency, and propagation geometry of the atom and laser beams. Moreover, we spatially and temporally characterize the beam of hydrogen and selected (neutral) alkali-metal atoms that carry non-zero orbital angular momentum (OAM). The proposed spatiotemporal Bessel states (i) are able to describe twisted states of any two-level system which is driven by the radiation field and (ii) have potential applications in atomic and nuclear processes as well as in quantum communication.
International Nuclear Information System (INIS)
Kim, C.
1995-01-01
Collisional events between 10-500 eV atomic beams (He, Ne, Ar, Kr, and Xe) and a Ni(100) surface are investigated by the classical trajectory method. The calculation employs a molecular dynamics approach combined with a Langevin method for treating energy dissipation to infinite solid. We find that low energy collisions of heavy atoms (Xe and Kr) are characterized by extensive many-body interactions with top layer surface atoms. On the other hand, light atom (Ne and He) collisions can be approximated as a sequence of binary collisions even at these energies. Such a difference in the collisional nature gives rise to the following consequences. Low energy heavy atoms transfer energy mostly to the surface atoms during 45 angle collision. They scatter from the surface with a narrow angular distribution centered in a supraspecular direction. The ratio of the scattered to incident particle energy rapidly decreases with increasing beam energy of heavy atoms. The sputtering yield for Ni atoms by heavy atom bombardment increases quite linearly with beam energy, which is attributed to a linear proportionality between the beam energy and the energy transfered to a surface. Near the threshold energy sputtering can occur more efficiently by light atom bombardment. The energy transfer ratio to solid continuously increases with beam energy for light atoms. For heavy projectiles, on the other hand, this ratio reaches a maximum at the energy of ca, 100 eV, above which it stays nearly constant but slightly decreases. ((orig.))
Direct excitation in heavy atom collisions: A propensity rule for charge cloud orientation
International Nuclear Information System (INIS)
Andersen, N.; Aarhus Univ.; Nielsen, S.E.; Royal Danish School of Pharmacy, Copenhagen)
1985-01-01
The Massey Criterion prescribes maximum electronic excitation of atoms in heavy particle collisions for collision velocities v where Δε a/ℎv ≅ π. Here Δε is the energy defect and a is the effective interaction length. Experiments with planar symmetry have revealed a preferred way of rotation of the excited charge cloud in this velocity region. We demonstrate by analysis of a simple, yet realistic model why excitation favors states with a specific orientation. A general propensity rule is derived and its validity evaluated for a specific case, the Na-He system. Implications for future experiments are pointed out. In particular, the propensity rule predicts very different collisions behaviors of oppositely oriented atoms, as prepared e.g. by circular polarized laser light. (orig.)
Negative ion formation in collisions involving excited alkali atoms
International Nuclear Information System (INIS)
Cheret, M.
1988-01-01
Ion-pair production is considered as the prototype of the crossing problem between potential energy curves. In general an alkali atom is one of the reactants the other being an halogen, hydrogen atom or molecule. Experimental results are generally analyzed in the framework of the Landau-Zener-Stuekelberg theory, ionization potential and electron affinity, being the most important parameters. In order to vary these parameters over a wide range two experimental works have been devoted to systems of excited alkali atoms colliding with ground state alkali atoms. In the first study Rb atoms are excited to various ns or nd states from Rb(5d) to Rb(9s) in a cell. The second study is devoted to the Na(3p)-Na(3s) system, in this study also the possibility of creating excited negative ions (Na - (3s3p)) has been investigated. These results are presented and analyzed. Finally further developments of the subject are suggested. 17 refs.; 8 figs.; 1 table
New analytical treatment for a kind of two dimensional integrals in ion-atom collisions
International Nuclear Information System (INIS)
Yang Qifeng; Kuang Yurang
1994-01-01
A kind of two-dimensional integrals, separated from two-center matrix elements in ion-atom collisions, is analytically integrated by introducing the Laplace transform into the integrals and expressed by the modified Bessel functions. The traditional Feynman transform is very complicated for this kind of more general integrals related to the excited state capture
ELECTRON-CAPTURE IN HIGHLY-CHARGED ION-ATOM COLLISIONS
MORGENSTERN, R
1993-01-01
An attempt is made to identify the most important mechanisms responsible for the rearrangement of electrons during collisions between multiply charged ions and atoms at keV energies. It is discussed to which extent the influence of binding energy, angular momentum of heavy particles and electrons,
Electron and X-ray emission in collisions of multiply charged ions and atoms
International Nuclear Information System (INIS)
Woerlee, P.H.
1979-01-01
The author presents experimental results of electron and X-ray emission following slow collisions of multiply charged ions and atoms. The aim of the investigation was to study the mechanisms which are responsible for the emission. (G.T.H.)
International Nuclear Information System (INIS)
1998-01-01
The research on theoretical atomic collisions that was funded at The Pennsylvania State University's Wilkes-Barre Campus by DOE from 1986 to 1998 was carried out by Winger from 1986 to 1989 and by Winter and Alston from 1989 to 1998. The fundamental processes of electron transfer, ionization, and excitation in ion-ion, ion-atom, and, more recently, ion-molecule collisions were addressed. These collision processes were treated in the context of simple one-electron, quasi-one-electron, or two-electron systems in order to provide unambiguous results and reveal more clearly the collisional mechanisms. Winter's work generally focused on the intermediate projectile-energy range corresponding to proton energies from about ten to a few hundred keV. In this velocity-matching energy range, the electron-transfer cross section reaches a peak, and many states, including electron-transfer and ionization states, contribute to the overall electron-cloud distribution and transition probabilities; a large number of states are coupled, and therefore perturbative approaches are generally inappropriate. These coupled-state calculations were sometimes also extended to higher energies to join with perturbative results. Alston concentrated on intermediate-energy asymmetric collision systems, for which coupling with the projectile is weaker, but many target states are included, and on high energies (MeV energies). Thus, while perturbation theory for electron transfer is valid, it is not adequate to first order. The studies by Winter and Alston described were often done in parallel. Alston also developed formal perturbative approaches not tied to any particular system. Materials studied included He + , Li 2+ , Be 3+ , B 4+ , C 5+ , and the H + + Na system
Positron production in heavy ion-atom collisions
International Nuclear Information System (INIS)
Kienle, P.
1985-08-01
Following an introduction into the concept of an atom with an overcritical field, established by a nucleus with a charge larger than 173, the spontaneous positron emission from such an atom with an 1s binding energy exceeding 2mc 2 is presented. Such a process, in which an electron is bound and a monoenergetic positron emitted turns the neutral into a charged vacuum. In a U-U di-nuclear system (Z=184) the spontaneous positron emission proceeds with an energy of about 300 keV corresponding to a decay time of 3x10 -19 sec. (orig./WL)
Formation of Rydberg states in fast ion-atom collisions
International Nuclear Information System (INIS)
Schneider, D.; Kanter, E.P.; Vager, Z.; Gemmell, D.; Koch, P.; Mariani, D.; Van de Water, W.
1983-01-01
Previous results from beam-foil spectroscopy and from experiments using field ionization techniques have shown that a significant fraction of fast ionic projectiles traversing solid targets can be excited to high Rydberg states. We report an experimental investigation of Rydberg states formed in atomic and molecular ion beams (MeV) emerging from thin-carbon foils. Different field arrangements, including μ-wave fields, have been applied to study the effects of field ionization. The yields of electrons produced via field ionization are compared for different projectile atoms and molecules
Energy Technology Data Exchange (ETDEWEB)
Weber, Guenter
2010-06-16
In the present thesis the linear polarization of radiation emitted in energetic ion-atom collisions at the ESR storage ring was measured by applying a novel type of position, timing and energy sensitive X-ray detector as a Compton polarimeter. In contrast to previous measurements, that mainly concentrate on studies of the spectral and angular distribution, the new detectors allowed the first polarization study of the Ly-{alpha}{sub 1} radiation (2p{sub 3/2}{yields}1s{sub 1/2}) in U{sup 91+}. Owing to the high precision of the polarimeters applied here, the experimental results indicate a significant depolarization of the Ly-{alpha}{sub 1} radiation caused by the interference of the E1 and M2 transition branches. Moreover, the current investigation shows that measurements of the linear polarization in combination with angular distribution studies provide a model-independent probe for the ratio of the E1 and M2 transition amplitudes and, consequently, of the corresponding transition probabilities. In addition, a first measurement of the linear polarization as well as an angular distribution study of the electron-nucleus Bremsstrahlung arising from ion-atom collisions was performed. The experimental results obtained were compared to exact relativistic calculations and, in case of the Bremsstrahlung, to a semirelativistic treatment. In general, good agreement was found between theoretical predictions and experimental findings. (orig.)
Ionization in positron- and positronium- collisions with atoms and molecules
Energy Technology Data Exchange (ETDEWEB)
Laricchia, G; Brawley, S; Cooke, D A; Murtagh, D J; Williams, A I [UCL Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom); Koever, A [permanent address: ATOMKI, Institute for Nuclear Research, Debrecen (Hungary)
2009-11-15
Recent progress in the experimental study of positron- and positronium-induced ionization of atoms and molecules is outlined. Investigations include integral and differential cross-sections, as well as formation of positronium in the first excited state. Future prospects are discussed.
Properties of the scattering amplitude for electron-atom collisions
International Nuclear Information System (INIS)
Combes, J.M.; Tip, A.
1983-02-01
For the scattering of an electron by an atom finiteness of the amplitude at non threshold energies is proved in the framework of the N-body Schroedinger equation. It is also shown that both the direct and exchange amplitudes have analytic continuations for complex values of incident momentum, with pole or cut singularities on the imaginary axis
Atomic Spectroscopy and Collisions Using Slow Antiprotons \\\\ ASACUSA Collaboration
Matsuda, Y; Lodi-rizzini, E; Kuroda, N; Schettino, G; Hori, M; Pirkl, W; Mascagna, V; Leali, M; Malbrunot, C L S; Yamazaki, Y; Eades, J; Simon, M; Massiczek, O; Sauerzopf, C; Nagata, Y; Knudsen, H; Uggerhoj, U I; Mc cullough, R W; Toekesi, K M; Venturelli, L; Widmann, E; Zmeskal, J; Kanai, Y; Kristiansen, H; Todoroki, K; Bartel, M A; Moller, S P; Charlton, M; Diermaier, M; Kolbinger, B
2002-01-01
ASACUSA (\\underline{A}tomic \\underline{S}pectroscopy \\underline{A}nd \\underline{C}ollisions \\underline{U}sing \\underline{S}low \\underline{A}ntiprotons) is a collaboration between a number of Japanese and European research institutions, with the goal of studying bound and continuum states of antiprotons with simple atoms.\\\\ Three phases of experimentation are planned for ASACUSA. In the first phase, we use the direct $\\overline{p}$ beam from AD at 5.3 MeV and concentrate on the laser and microwave spectroscopy of the metastable antiprotonic helium atom, $\\overline{p}$He$^+$, consisting of an electron and antiproton bound by the Coulomb force to the helium nucleus. Samples of these are readily created by bringing AD antiproton beam bunches to rest in helium gas. With the help of techniques developed at LEAR for resonating high precision laser beams with antiproton transitions in these atoms, ASACUSA achieved several of these first-phase objectives during a few short months of AD operation in 2000. Six atomic tr...
Reactive Collisions and Interactions of Ultracold Dipolar Atoms
2014-10-29
Kotochigova Department of Physics, Temple University, Philadelphia, PA 19122-6082 I. COLLISIONAL INTERACTIONS OF RARE- EARTH MAGNETIC ATOMS The breakthroughs...technologies, it was not previously implemented, possibly owing to the misconception that molecular ions predominantly undergo charge-exchange reactions leading
Theoretical study of adsorption of lithium atom on carbon nanotube
Senami, Masato; Ikeda, Yuji; Fukushima, Akinori; Tachibana, Akitomo
2011-01-01
We investigate the adsorption of lithium atoms on the surface of the (12, 0) single wall carbon nanotube (SWCNT) by using ab initio quantum chemical calculations. The adsorption of one lithium atom on the inside of this SWCNT is favored compared to the outside. We check this feature by charge transfer and regional chemical potential density. The adsorption of multiple lithium atoms on the interior of the SWCNT is studied in terms of adsorption energy and charge transfer. We show that repulsiv...
Theoretical atomic physics for fusion. 1994 Annual Report
International Nuclear Information System (INIS)
Pindzola, M.S.
1994-01-01
The understanding of electron-ion collision processes in plasmas remains a key factor in the ultimate development of nuclear fusion as a viable energy source for the nation. The author's 1993-1994 research proposal delineated several areas of research in electron-ion scattering theory. In the paragraphs below the author summarizes 1994 efforts
Coupled-channels calculations of excitation and ionization in ion-atom collisions
International Nuclear Information System (INIS)
Martir, M.H.
1981-01-01
A numerical method has been used to compute excitation and ionization cross sections for ion-atom collisions. The projectile is treated classically and follows a straight line, constant velocity path (unless indicated otherwise). The wave function that describes the atom is expanded about the target in a truncated Hilbert space. The interaction between the projectile and the target atom is treated as a time dependent perturbation. A unitary time development operator, U, propagates the wave function from a time prior to the collision to a time after the collision in small time steps. Contrary to first-order theories, coupling between states is allowed. This method has been improved so that any number of partial waves can be included in the wave function expansion. This method has been applied to study negatively charged projectiles. Cross sections are obtained for collisions of antiprotons on atomic hydrogen (30 keV to 372 keV) and compared with cross sections of protons on atomic hydrogen to explore the Z/sub P/ dependence. The antiproton-hydrogen results were converted into electron-hydrogen values with E/sub e/ = E/sub P/(m/sub e//m/sub P/) (15 eV to 200 eV) and compared to experimental values. The method is then applied to study vacancy production from the L-shell. The partial wave convergence of the cross sections was carefully studied for s through g waves. Collisions between protons (and alpha-particles) and argon are studied to explore the Z/sub P/ dependence of the cross sections. The cross section ratio sigma(α)/(4sigma(p)) is compared to experiment
Photon emission spectroscopy of ion-atom collisions
International Nuclear Information System (INIS)
Nystroem, B.
1995-10-01
Emission cross sections for the 1snp 1 P 1 -levels have been measured by photon emission spectroscopy for the collision systems He + + He at 10 keV and He 2+ + He at 10-35 keV. Photon spectra of Krypton (Kr VIII) and Xenon (Xe V - IX) have also been obtained using 10q keV beams of Kr q+ (q=7-9) and Xe q+ (q=5-9) colliding with Helium and Argon. The Lifetimes of 3p 2 P-levels in Na-like Nb are reported together with lifetime for the 3s3p 3 P 1 -level in Mg-like Ni, Kr, Y, Zr and Nb where this level has an intercombination transition to the ground state. 45 refs, 20 figs
Photon emission spectroscopy of ion-atom collisions
Energy Technology Data Exchange (ETDEWEB)
Nystroem, B
1995-10-01
Emission cross sections for the 1snp{sup 1}P{sub 1}-levels have been measured by photon emission spectroscopy for the collision systems He{sup +} + He at 10 keV and He{sup 2+} + He at 10-35 keV. Photon spectra of Krypton (Kr VIII) and Xenon (Xe V - IX) have also been obtained using 10q keV beams of Kr{sup q+} (q=7-9) and Xe{sup q+} (q=5-9) colliding with Helium and Argon. The Lifetimes of 3p{sup 2}P-levels in Na-like Nb are reported together with lifetime for the 3s3p{sup 3}P{sub 1}-level in Mg-like Ni, Kr, Y, Zr and Nb where this level has an intercombination transition to the ground state. 45 refs, 20 figs.
Resonance effects in projectile-electron loss in relativistic collisions with excited atoms
International Nuclear Information System (INIS)
Voitkiv, A B
2005-01-01
The theory of electron loss from projectile-ions in relativistic ion-atom collisions is extended to the case of collisions with excited atoms. The main feature of such collisions is a resonance which can emerge between electron transitions in the ion and atom. The resonance becomes possible due to the Doppler effect and has a well-defined impact energy threshold. In the resonance case, the ion-atom interaction is transmitted by the radiation field and the range of this interaction becomes extremely long. Because of this the presence of other atoms in the target medium and the size of the space occupied by the medium have to be taken into account and it turns out that microscopic loss cross sections may be strongly dependent on such macroscopic parameters as the target density, temperature and size. We consider both the total and differential loss cross sections and show that the resonance can have a strong impact on the angular and energy distributions of electrons emitted from the projectiles and the total number of electron loss events
Frémont, François
2014-01-01
Since the discovery that atomic-size particles can be described as waves, many interference experiments have been realized with electrons to demonstrate their wave behavior. In this book, after describing the different steps that led to the present knowledge, we focus on the strong link existing between photon and electron interferences, highlighting the similarities and the differences. For example, the atomic centers of a hydrogen molecule are used to mimic the slits in the Young's famous interference experiment with light. We show, however, that the basic time-dependent ionization theories that describe these Young-type electron interferences are not able to reproduce the experiment. This crucial point remains a real challenge for theoreticians in atomic collision physics.
Electron capture in ion-molecule collisions at intermediate energy
International Nuclear Information System (INIS)
Kumura, M.
1986-01-01
Recent progress of theoretical charge transfer study in ion-molecule collisions at the intermediate energy is reviewed. Concept of close and distant collisions obtained from extensive ion-atom collision studies is identified so that it can be utilized to model two distinct collision processes. For a close collision, explicit representation of the whole collision complex is necessary to describe collision dynamics correctly, while a model potential approach for molecule is appropriate for a distant collision. It is shown that these two distinct models are indeed capable of reproducing experimental charge transfer cross sections. Some remarks for further theoretical study of ion-molecule collisions are also given. 21 refs., 8 figs
Pacheco, Alexander B.; Reyes, Andrés; Micha, David A.
2006-12-01
Collision-induced light emission during the interaction of an alkali-metal atom and a noble-gas atom is treated within a first-principles, or direct, dynamics approach that calculates a time-dependent electric dipole for the whole system, and spectral emission cross sections from its Fourier transform. These cross sections are very sensitive to excited diatomic potentials and a source of information on their shape. The coupling between electronic transitions and nuclear motions is treated with atomic pseudopotentials and an electronic density matrix coupled to trajectories for the nuclei. A recently implemented pseudopotential parametrization scheme is used here for the ground and excited states of the LiHe system, and to calculate state-to-state dipole moments. To verify the accuracy of our new parameters, we recalculate the integral cross sections for the LiHe system in the keV energy regime and obtain agreement with other results from theory and experiment. We further present results for the emission spectrum from 10keV Li(2s)+He collisions, and compare them to experimental values available in the region of light emitted at 300-900nm .
Laser Assisted Free-Free Transition in Electron - Atom Collision
Sinha, C.; Bhatia, A. K.
2011-01-01
Free-free transition is studied for electron-Hydrogen atom system in ground state at very low incident energies in presence of an external homogeneous, monochromatic and linearly polarized laser field. The incident electron is considered to be dressed by the laser in a non perturbative manner by choosing the Volkov solutions in both the channels. The space part of the scattering wave function for the electron is solved numerically by taking into account the effect of electron exchange, short range as well as of the long range interactions. Laser assisted differential as well as elastic total cross sections are calculated for single photon absorption/emission in the soft photon limit, the laser intensity being much less than the atomic field intensity. A strong suppression is noted in the laser assisted cross sections as compared to the field free situations. Significant difference is noted in the singlet and the triplet cross sections.
International Nuclear Information System (INIS)
Colgan, J.; Judge, E.J.; Kilcrease, D.P.; Barefield, J.E.
2014-01-01
We report on efforts to model the Fe emission spectrum generated from laser-induced breakdown spectroscopy (LIBS) measurements on samples of pure iron oxide (Fe 2 O 3 ). Our modeling efforts consist of several components. We begin with ab-initio atomic structure calculations performed by solving the Hartree–Fock equations for the neutral and singly ionized stages of Fe. Our energy levels are then adjusted to their experimentally known values. The atomic transition probabilities and atomic collision quantities are also computed in an ab-initio manner. We perform LTE or non-LTE calculations that generate level populations and, subsequently, an emission spectrum for the iron plasma for a range of electron temperatures and electron densities. Such calculations are then compared to the experimental spectrum. We regard our work as a preliminary modeling effort that ultimately strives towards the modeling of emission spectra from even more complex samples where less atomic data are available. - Highlights: • LIBS plasma of iron oxide • Ab-initio theoretical Modeling • Discussion of LTE versus non-LTE criteria and assessment • Boltzmann plots for Fe—determination of when LTE is a valid assumption • Emission spectra for Fe—comparison of theoretical modeling and measurement: good agreement obtained
International Nuclear Information System (INIS)
Korobov, V.I.; Melezhik, V.S.; Ponomarev, L.I.
1992-01-01
A numerical scheme for solving the problem of slow collisions in the three-body adiabatic approach is applied for calculation of muon transfer rates in collisions of hydrogen isotope atoms on bare nuclei. It is demonstrated that the multichannel adiabatic approach allows one to reach high accuracy results (∼3%) estimating the cross sections of charge transfer processes which are the best ones up to date. The method is appliable in a wide range of energies (0.001-50 eV) which is of interest for analysis of muon catalysed fusion experiments. 20 refs.; 3 figs.; 5 tabs
International Nuclear Information System (INIS)
Wang, M.; de Vries, M.S.; Weiner, J.
1986-01-01
We have studied the effect of reactant Na(3p) polarization on the rotational angular momentum alignment of product Na 2 + ions arising from associative-ionization (AI) collisions. Our results show that sensitivity of the AI rate constant to initial atomic polarization persists even when all hyperfine states are populated with broadband (3 cm -1 ) pulsed laser excitation of Na( 2 P/sub 3/2/) and that the spatial distribution of product rotational angular momentum vectors is anisotropic. We discuss a qualitative description of the collision process consistent with our measurements which indicates that sigma-orbital symmetry is preferred to π-orbital symmetry as the colliding partners approach
Influences of atom Ar on Ar at C60 + Ar at C60 collisions
International Nuclear Information System (INIS)
Zhao Qiang; Zhou Hongyu; Zhang Fengshou
2007-01-01
A semi-emperical molecular dynamics model was developed. The central collisions of C 60 + C 60 and Ar at C 60 + Ar at C 60 at the same incident energy were investigated within this model. The fullerene dimers could be formed by a self-assembly of C 60 fullerene, and the new fullerene structure like 'peanut' could be formed by a self-assembly of Ar at C 60 . It was found that atom Ar had a great effect on the collision of Ar at C 60 + Ar at C 60 . (authors)
Comment on the classical-trajectory Monte Carlo method for ion-atom collisions
International Nuclear Information System (INIS)
Cohen, J.S.
1982-01-01
It is shown that the procedure described by Olson and Salop for classical-trajectory Monte Carlo treatment of ion-atom collisions does not provide a uniform statistical distribution of all the parameters defining the initial conditions of a trajectory. Impact-ionization and charge-transfer cross sections for collisions of H + with H at H energies between 25 and 600 keV are recalculated eliminating this failing and compared with those obtained using the procedure of Olson and Salop and with experimental results
International Nuclear Information System (INIS)
Runge, Serge.
1980-12-01
The relative cross-sections of ionizing collisions between He + He and He + Ne atoms, have been studied, the helium being excited in a state (3 1 p) by a laser beam. The results obtained made it possible (a) to reveal in a direct manner the production of molecular ions He 2 + and He Ne + and (b) to determine the relative change in the associative ionizing cross-section in the area (0.035 - 0.17 eV) in the He (3 1 P) + Ne collision, despite the very short life of the He (3 1 P) excited state (1.7 ns). The production of He 2 + ions from an He (3 1 P) + He collision sets an upper limit to the appearance potential of these ions. The experimental study of the associative ionization in the He (3 1 P) + Ne system made it possible to extend the utilization of the GAMMA(R) self ionization model, already tested for the metastable states, to the radiative states. The GAMMA(R) model seems well suited for the description of collisions of the A excited + B type, where the excitation energy of A is greater than the ionization potential of B [fr
Benchmark Calculations for Electron Collisions with Complex Atoms
International Nuclear Information System (INIS)
Zatsarinny, Oleg; Bartschat, Klaus
2014-01-01
The B-spline R-matrix (BSR) approach [1,2] is based on the non-perturbative close-coupling method. As such it is, in principle, based on an exact expansion of the solution of the time-independent Schrödinger equation, as an infinite sum/integral of N-electron target states coupled to the wave function of the scattering projectile. The N-electron target states, again, can in principle be calculated with almost arbitrary accuracy using sufficiently large configuration-interaction expansions and the correct interaction hamiltonian. In practice, of course, the infinite expansions have to be cut off in some way and the exact hamiltonian may not be available. In the collision part of the BSR method, the integral over the ionization continuum and the infinite sum over high-lying Rydberg states are replaced by a finite sum over square-integrable pseudo-states. Also, a number of inner shells are treated as (partially) inert, i.e., a minimum number of electrons are required in those subshells.
Many-electron model for multiple ionization in atomic collisions
International Nuclear Information System (INIS)
Archubi, C D; Montanari, C C; Miraglia, J E
2007-01-01
We have developed a many-electron model for multiple ionization of heavy atoms bombarded by bare ions. It is based on the transport equation for an ion in an inhomogeneous electronic density. Ionization probabilities are obtained by employing the shell-to-shell local plasma approximation with the Levine and Louie dielectric function to take into account the binding energy of each shell. Post-collisional contributions due to Auger-like processes are taken into account by employing recent photoemission data. Results for single-to-quadruple ionization of Ne, Ar, Kr and Xe by protons are presented showing a very good agreement with experimental data
Many-electron model for multiple ionization in atomic collisions
Energy Technology Data Exchange (ETDEWEB)
Archubi, C D [Instituto de AstronomIa y Fisica del Espacio, Casilla de Correo 67, Sucursal 28 (C1428EGA) Buenos Aires (Argentina); Montanari, C C [Instituto de AstronomIa y Fisica del Espacio, Casilla de Correo 67, Sucursal 28 (C1428EGA) Buenos Aires (Argentina); Miraglia, J E [Instituto de AstronomIa y Fisica del Espacio, Casilla de Correo 67, Sucursal 28 (C1428EGA) Buenos Aires (Argentina)
2007-03-14
We have developed a many-electron model for multiple ionization of heavy atoms bombarded by bare ions. It is based on the transport equation for an ion in an inhomogeneous electronic density. Ionization probabilities are obtained by employing the shell-to-shell local plasma approximation with the Levine and Louie dielectric function to take into account the binding energy of each shell. Post-collisional contributions due to Auger-like processes are taken into account by employing recent photoemission data. Results for single-to-quadruple ionization of Ne, Ar, Kr and Xe by protons are presented showing a very good agreement with experimental data.
Experimental and theoretical studies of metal vapor atoms
International Nuclear Information System (INIS)
Whitfield, S.B.; Wehlitz, Ralf; Martins, Michael
2004-01-01
Employing electron spectrometry in conjunction with tuneable synchrotron radiation, we will present a detailed examination of the photoionization dynamics of selected metal vapor atoms. In particular, this paper will focus on the relative partial cross sections of the atomic Li K-shell main and satellite (ionization with excitation) photoelectron lines in the region of the strong 1snln'l' autoionizing transitions, the atomic Sc 3d, 4s main and satellite photoelectron lines in the region of the 3p→3d giant resonance, and also the atomic Fe 3d, 4s main and satellite photoelectron lines in the same resonance region. Our experimental data for Sc and Fe will be compared to our state-of-the-art calculations based on the superposition of configuration method developed by Cowan (The Theory of Atomic Structure and Spectra. University of California Berkeley Press, Berkeley and Los Angeles, 1981). Our partial cross section measurements for Li and Sc will be complemented with measurements of the angular distribution parameter, β. In addition, our Li data will also be compared with recent R-matrix calculations (Phys. Rev. 57 (1998) 1045). In the case of Fe, we will also address the term dependent behavior of the partial cross sections on resonance. These results will highlight what can be achieved with today's technology and point the way towards future endeavors in the study of the photoionization dynamics of open-shell metal vapor atoms
International Nuclear Information System (INIS)
Ryazanov, A.I.; Metelkin, E.V.
1980-01-01
Cascades of atomic collisions created by high energy particles as a result of irradiation of solids by them are considered. The solution of the problem is based on the investigation of the Boltzmann stationary kinetic equation for moving atoms. For this equation a model scattering indicatrix is constructed with an arbitrary form of the potential of interaction of moving atoms with lattice atoms. The choice of the model scattering indicatrix of atoms is determined by the normalization, the average energy loss in a single collision and by the deviation of the energy losses really occurring in the collision from the mean value, as well as by the initial kinetic equation for moving atoms. The energy distribution of moving atoms for arbitrary interatomic interaction potentials has been obtained using the constructed model scattering indicatrix. On the basis of the theory constructed a cascade is calculated with an interatomic interaction potential in the form of the Thomas-Fermi potential and the power potential. (author)
Charge-exchange collisions of multiply charged ions with atoms
International Nuclear Information System (INIS)
Grozdanov, T.P.; Janev, R.K.
1978-01-01
The problem of electron transfer between neutral atoms and multiply charged ions is considered at low and medium energies. It is assumed that a large number of final states are available for the electron transition so that the electron-capture process is treated as a tunnel effect caused by the strong attractive Coulomb field of the multicharged ions. The electron transition probability is obtained in a closed form using the modified-comparison-equation method to solve the Schroedinger equation. An approximately linear dependence of the one-electron transfer cross section on the charge of multicharged ion is found. Cross-section calculations of a number of charge-exchange reactions are performed
Electron-ion collision rates in atomic clusters irradiated by femtosecond laser pulses
International Nuclear Information System (INIS)
Moll, M; Hilse, P; Schlanges, M; Bornath, Th; Krainov, V P
2010-01-01
In atomic clusters irradiated by femtosecond laser pulses, plasmas with high density and high temperature are created. The heating is mainly caused by inverse bremsstrahlung, i.e. determined by electron-ion collisions. In the description of the scattering of electrons on noble gas ions in such plasmas, it is important to account for the inner structure of the ions and the screening by the surrounding plasma medium which can be accomplished by using suitable model potentials. In the wide parameter range met in experiments, the Born approximation is not applicable. Instead, the electron-ion collision frequency is calculated on the basis of classical momentum transport cross sections. Results are presented for xenon, krypton and argon ions in different charge states. A comparison of these results to those for the scattering on Coulomb particles with the same charge shows an enhancement of the collision frequency. The Born approximation, however, leads to an overestimation.
Applications of beam-foil spectroscopy to atomic collisions in solids
Sellin, I. A.
1976-01-01
Some selected papers presented at the Fourth International Conference on Beam-Foil Spectroscopy, whose results are of particular pertinence to ionic collision phenomena in solids, are reviewed. The topics discussed include solid target effects and means of surmounting them in the measurement of excited projectile ion lifetimes for low-energy heavy element ions; the electron emission accompanying the passage of heavy particles through solid targets; the collision broadening of X rays emitted from 100 keV ions moving in solids; residual K-shell excitation in chlorine ions penetrating carbon; comparison between 40 MeV Si on gaseous SiH4 targets at 300 mtorr and 40 MeV Si on Al; and the emergent surface interaction in beam-foil spectroscopy. A distinct overlap of interests between the sciences of beam-foil spectroscopy and atomic collisions in solids is pointed out.
The fifth international symposium ''atomic cluster collisions''. ISACC 2011. Book of Abstracts
Energy Technology Data Exchange (ETDEWEB)
NONE
2011-07-01
satellite of the ICPEAC. The ISACC 2011 will promote, as all former ones, the growth and exchange of scientific information on the structure, properties and dynamics of complex nuclear, atomic, molecular, cluster, nanoscopic and biological systems studied primarily by means of photonic, electronic and heavy particle collisions. In the symposium, particular attention will be devoted to new developments such as the employment of Free Electron Lasers FEL's for the study of dynamical, in particular time dependent phenomena, many-body effects taking place in clusters, nanostructures, molecular and biological systems, which include problems of fusion and fission, fragmentation, collective electron excitations, phase transitions, radiation damage and many more. Nonlinear phenomena in the photoionization of clusters are explored by the new excitation possibilities in the VUV and soft X-ray regime for the first time. Both experimental and theoretical aspects of cluster physics uniquely placed between nuclear physics on the one hand and atomic, molecular, and solid state physics on the other will be subjects of this symposium.
International Nuclear Information System (INIS)
DuBois, R.D.; Toburen, L.H.; Middendorf, M.E.; Jagutzki, O.
1992-09-01
Absolute doubly differential cross sections for electron emission are presented for 0.5 MeV/u multi-charged ion impact on helium, neon, and argon targets. For the helium target, Bq+, Cq+ (q = 2--5) and Oq+, Fq+ (q = 3--6) projectiles were studied; for neon and argon, only Cq+ (q = 2--5) projectiles were used. Electron emission for 10 degrees ≤ Θ ≤ 60 degrees was studied. The measured cross sections were assumed to scale as the square of an effective projectile charge, Z eff , which was determined as a function of emitted electron energy and angle. For distant collisions (low emitted electron energies), we find that Z eff ∼ q for small q and Z eff eff > Z and increases as q decreases. This is true for all angles and targets investigated
Correlated charge-changing uion-atom collisions. Final Technical Report
International Nuclear Information System (INIS)
John Tanis
2005-01-01
This document comprises the final technical report for atomic collisions research supported by DOE grant No. DE-FG02-87ER13778 from September 1, 2001 through August 31, 2004. The research involved the experimental investigation of excitation and charge-changing processes occurring in ion-atom and ion-molecule collisions. Major emphases of the study were: (1) interference effects resulting from coherent electron emission in H2, (2) production of doubly vacant K-shell (hollow ion) states due to electron correlation, and (3) formation of long-lived metastable states in electron transfer processes. During the period of the grant, this research resulted in 23 publications, 12 invited presentations, and 39 contributed presentations at national and international meetings and other institutions. Brief summaries of the completed research are presented below
Two-body loss rates for reactive collisions of cold atoms
Cop, C.; Walser, R.
2018-01-01
We present an effective two-channel model for reactive collisions of cold atoms. It augments elastic molecular channels with an irreversible, inelastic loss channel. Scattering is studied with the distorted-wave Born approximation and yields general expressions for angular momentum resolved cross sections as well as two-body loss rates. Explicit expressions are obtained for piecewise constant potentials. A pole expansion reveals simple universal shape functions for cross sections and two-body loss rates in agreement with the Wigner threshold laws. This is applied to collisions of metastable 20Ne and 21Ne atoms, which decay primarily through exothermic Penning or associative ionization processes. From a numerical solution of the multichannel Schrödinger equation using the best currently available molecular potentials, we have obtained synthetic scattering data. Using the two-body loss shape functions derived in this paper, we can match these scattering data very well.
One-electron capture and target ionization in He+-neutral-atom collisions
International Nuclear Information System (INIS)
Shevelko, V.P.; Tolstikhina, I.Yu.; Kato, D.; Tawara, H.; Song, M-.Y.; Yoon, J-.S.
2009-12-01
One-electron capture and target-ionization cross sections in collisions of He + ions with neutral atoms: He + + A → He + A + and He + + A → He + + A + + e, A = H, He(1s 2 , 1s2s), Ne, Ar, Kr, Xe, are calculated and compared with available experimental data over the broad energy range E = 0.1 keV/u - 10 MeV/u of He + ions. The role of the metastable states of neutral helium atoms in such collisions, which are of importance in plasma physics applications, is briefly discussed. The recommended cross section data for these processes are presented in a closed analytical form (nine-order polynomials) which can be used for a plasma modeling and diagnostics. (author)
High-resolution measurements of x rays from ion-atom collisions
International Nuclear Information System (INIS)
Knudson, A.R.
1974-01-01
High resolution measurements of K x-ray spectra produced by ion-atom collisions at MeV energies are presented. These measurements indicate that a distribution of L-shell vacancies accompanies K-shell excitation. The variation of these spectra as a function of incident ion energy and atomic number is discussed. Difficulties in the analysis of these spectra due to rearrangement of vacancies between the time of the collision and the time of x-ray emission are considered. The use of high resolution x-ray measurements to obtain information on projectile ion vacancy configurations is demonstrated by data for Ar ions in KCl. X-ray spectra from Al projectiles in a variety of targets were measured and the effect of target composition on these spectra is discussed
Liu, Yang; Li, Shu-qing; Feng, Zhong-ying; Liu, Xiao-fei; Gao, Jin-yue
2016-12-01
To obtain the weak signal light detection from the high background noise, we present a theoretical study on the ultra-narrow bandwidth tunable atomic filter with electromagnetically induced transparency. In a three-level Λ -type atomic system in the rubidium D1 line, the bandwidth of the EIT atomic filter is narrowed to ~6.5 \\text{MHz} . And the single peak transmission of the filter can be up to 86% . Moreover, the transmission wavelength can be tuned by changing the coupling light frequency. This theoretical scheme can also be applied to other alkali atomic systems.
Pauli blocking and laser manipulation of the electron dynamics in atomic collisions
International Nuclear Information System (INIS)
Kirchner, T.
2004-01-01
Full text: The dynamics of ion-atom collisions are governed primarily by the Coulomb interactions between the active electrons and the projectile and target nuclei. This contribution is devoted to the question whether and how other phenomena can modify the outcome of atomic scattering experiments. Firstly, the role of the Pauli exclusion principle on electronic transitions will be considered. Supported by experimental data it will be argued that Pauli blocking may have an important influence on electron transfer processes if collision systems with electrons on target and projectile in the initial channel are addressed [1]. Secondly, it will be discussed to which extent the electron dynamics can be modified and manipulated by an external interaction, namely by a suitable laser field [2]. The prototype scattering system He 2+ -H will be considered in the framework of the semiclassical approximation, i.e., projectile and laser interactions are described in terms of time-dependent external potentials which govern the quantum dynamics of the electron. The focus will be on slow collisions, in which electron transfer dominates, and on relatively short wavelengths such that both time dependent potentials vary on comparable time scales. A strong enhancement of laser-assisted electron transfer is found at collision energies below 1 keV/amu [3]. Its origin and its disappearance at higher energies as well as implications for planned experiments will be discussed
Devries, P. L.; George, T. F.
1978-01-01
The problem of two atoms colliding in the presence of an intense radiation field, such as that of a laser, is investigated. The radiation field, which couples states of different electronic symmetry, is described by the number state representation while the electronic degrees of freedom (plus spin-orbit interaction) are discussed in terms of a diabatic representation. The total angular momentum of the field-free system and the angular momentum transferred by absorption (or emission) of a photon are explicitly considered in the derivation of the coupled scattering equations. A model calculation is discussed for the Xe + F collision system.
Slow Collisions of Si3+ with Atomic Hydrogen
Joseph, D. C.; Gu, J.-P.; Saha, B. C.; Liebermann, H. P.; Funke, P.; Buenker, R. J.
2010-03-01
Low energy electron capture from hydrogen atom by multi-charged ions continues to be of interest and applications include both magnetically confined fusion and astrophysical plasmas. The charge exchange process reported here, Si^3+ + H -> Si^2+ + H^+ is an important destruction mechanism of Si^3+ in photo-ionized gas. The soft X-ray emission from comets has been explained by charge transfer of solar wind ions, among them Si^3+, with neutrals in the cometary gas vapor. The state selective cross sections are evaluated using the full quantum [1] and semi-classical molecular orbital close coupling (MOCC) [2] methods. Adiabatic potentials and wave functions for a number of low-lying singlet and triplet states of and symmetry are calculated wing the MRD-CI package [3]. Details will be presented at the conference. [4pt] [1] L. B. Zhao, D. C. Joseph, B. C. Saha, H. P. Liebermann, P. Funke and R. J. Buenker, Phys. Rev A, 79, 034701 (1009).[0pt] [2] M. Kimura and N. F. Lane, At. Mol. Opt. Phys 26, 79 (1990).[0pt] [3] R. J. Buenker, ``Current Aspects of Quantum Chemistry 1981, Vol 21, edited by R. Carbo (Elsevier, Amsterdam) p 17.
Electron removal from H and He atoms in collisions with C q+ , O q+ ions
Janev, R. K.; McDowell, M. R. C.
1984-06-01
Cross sections for electron capture and ionisation in collision of partially and completely stripped C q+ , N q+ and O q+ ions with hydrogen and helium atoms have been calculated at selected energies. The classical trajectory Monte Carlo method was used with a variable-charge pseudopotential to describe the interaction of the active electron with the projectile ion. A scalling relationship has been derived for the electron removal (capture and ionisation) cross section which allows a unifield representation of the data.
Devries, P. L.; George, T. F.
1982-01-01
A time-dependent, wave-packet description of atomic collisions in the presence of laser radiation is extracted from the more conventional time-independent, stationary-state description. This approach resolves certain difficulties of interpretation in the time-independent approach which arise in the case of asymptotic near resonance. In the two-state model investigated, the approach predicts the existence of three spherically scattered waves in this asymptotically near-resonant case.
Effects of ion-atom collisions on the propagation and damping of ion-acoustic waves
DEFF Research Database (Denmark)
Andersen, H.K.; D'Angelo, N.; Jensen, Vagn Orla
1968-01-01
Experiments are described on ion-acoustic wave propagation and damping in alkali plasmas of various degrees of ionization. An increase of the ratio Te/Ti from 1 to approximately 3-4, caused by ion-atom collisions, results in a decrease of the (Landau) damping of the waves. At high gas pressure and....../or low wave frequency a "fluid" picture adequately describes the experimental results....
Charge exchange and ionization in atom-multiply-charged ion collisions
International Nuclear Information System (INIS)
Presnyakov, L.P.; Uskov, D.B.
1988-01-01
This study investigates one-electron transitions to the continuous and discrete spectra induced by a collision of atom A and multiply-charged ion B +Z with nuclear charge Z > 3. An analytical method is developed the charge-exchange reaction; this method is a generalization of the decay model and the approximation of nonadiabatic coupling of two states that are used as limiting cases in the proposed approach
On the relativistic and nonrelativistic electron descriptions in high-energy atomic collisions
International Nuclear Information System (INIS)
Voitkiv, A.B
2007-01-01
We consider the relativistic and nonrelativistic descriptions of an atomic electron in collisions with point-like charged projectiles moving at relativistic velocities. We discuss three different forms of the fully relativistic first-order transition amplitude. Using the Schroedinger-Pauli equation to describe the atomic electron we establish the correct form of the nonrelativistic first-order transition amplitude. We also show that the so-called semi-relativistic treatment, in which the Darwin states are used to describe the atomic electron, is in fact fully equivalent to the nonrelativistic consideration. The comparison of results obtained with the relativistic and nonrelativistic electron descriptions shows that the latter is accurate within 20-30% up to Z a ∼ a is the atomic nuclear charge
Electron-hydrogen atom collisions in the presence of a laser field
International Nuclear Information System (INIS)
Brandi, H.S.; Koiller, B.; Barros, H.G.P.L. de
1978-01-01
The collision of an electron and a hydrogen atom in the presence of a laser field is studied within a previously proposed approximation (based on the space translation approximation) for the bound states of the hydrogen atom. Fhe Green's function formalism is applied to derive an expression for the scattering amplitude associated to multiphoton processes. The Born-Oppenheimer approximation is obtained and numerical calculations are performed for the ls→2s inelastic excitation. It is shown as expected that exchange effects are important only for scattering processes involving low energy electrons [pt
Absolute single electron loss in collisions of Ar+ with various atoms
Reyes, P. G.; Martínez, H.; Castillo, F.
2001-07-01
Absolute differential and total cross sections for single electron loss were measured for Ar+ ions on various atoms in the energy range of 1.5 to 5.0 keV. The laboratory angular scan for the distributions ranged from -2.5 to 2.5 degrees. The measured differential cross sections have been integrated over the experimental angular range providing absolute total cross sections. The behavior of the total electron loss cross sections with the target atomic number, Zt, shows different dependences as the collision energy increases. In all cases it displays a saturation as Zt increases.
Atomic collision experiments at the border line between classical and quantum mechanics
International Nuclear Information System (INIS)
Aquilanti, V.
1984-01-01
In order to understand atomic and molecular interactions, one has to learn how to live with the wave-particle duality, considering classical nuclei and quantum electrons. A better way, illustrated by reference to experiments, is by quasiclassical (or semi-classical) mechanics, governing a world with a quasi-zero Planck's constant. One thus explains optical analogs (shadows, rainbows, glories) as interference effects in atomic collisions. Reference is also made to Wheeler's 'black bird' on the inversion problem from spectroscopy and scattering to molecular structure. The paper concludes outlining a journey in the hyperspace to escape from Einstein's torus and to find interferences and resonances in three body scattering and reactions. (Auth.)
Quantum-kinetic modeling of electron release in low-energy surface collisions of atoms and molecules
Energy Technology Data Exchange (ETDEWEB)
Marbach, Johannes
2012-09-20
In this work we present a theoretical description of electron release in the collision of atomic and molecular projectiles with metallic and especially dielectric surfaces. The associated electron yield, the secondary electron emission coefficient, is an important input parameter for numerical simulations of dielectric barrier discharges and other bounded low-temperature gas discharges. The available reference data for emission coefficients is, however, very sparse and often uncertain, especially for molecular projectiles. With the present work we aim to contribute to the filling of these gaps by providing a flexible and easy-to-use model that allows for a convenient calculation of the emission coefficient and related quantities for a wide range of projectile-surface systems and the most dominant reaction channels.
Quantum-kinetic modeling of electron release in low-energy surface collisions of atoms and molecules
International Nuclear Information System (INIS)
Marbach, Johannes
2012-01-01
In this work we present a theoretical description of electron release in the collision of atomic and molecular projectiles with metallic and especially dielectric surfaces. The associated electron yield, the secondary electron emission coefficient, is an important input parameter for numerical simulations of dielectric barrier discharges and other bounded low-temperature gas discharges. The available reference data for emission coefficients is, however, very sparse and often uncertain, especially for molecular projectiles. With the present work we aim to contribute to the filling of these gaps by providing a flexible and easy-to-use model that allows for a convenient calculation of the emission coefficient and related quantities for a wide range of projectile-surface systems and the most dominant reaction channels.
Quantum chaos in ultracold collisions of gas-phase erbium atoms.
Frisch, Albert; Mark, Michael; Aikawa, Kiyotaka; Ferlaino, Francesca; Bohn, John L; Makrides, Constantinos; Petrov, Alexander; Kotochigova, Svetlana
2014-03-27
Atomic and molecular samples reduced to temperatures below one microkelvin, yet still in the gas phase, afford unprecedented energy resolution in probing and manipulating the interactions between their constituent particles. As a result of this resolution, atoms can be made to scatter resonantly on demand, through the precise control of a magnetic field. For simple atoms, such as alkalis, scattering resonances are extremely well characterized. However, ultracold physics is now poised to enter a new regime, where much more complex species can be cooled and studied, including magnetic lanthanide atoms and even molecules. For molecules, it has been speculated that a dense set of resonances in ultracold collision cross-sections will probably exhibit essentially random fluctuations, much as the observed energy spectra of nuclear scattering do. According to the Bohigas-Giannoni-Schmit conjecture, such fluctuations would imply chaotic dynamics of the underlying classical motion driving the collision. This would necessitate new ways of looking at the fundamental interactions in ultracold atomic and molecular systems, as well as perhaps new chaos-driven states of ultracold matter. Here we describe the experimental demonstration that random spectra are indeed found at ultralow temperatures. In the experiment, an ultracold gas of erbium atoms is shown to exhibit many Fano-Feshbach resonances, of the order of three per gauss for bosons. Analysis of their statistics verifies that their distribution of nearest-neighbour spacings is what one would expect from random matrix theory. The density and statistics of these resonances are explained by fully quantum mechanical scattering calculations that locate their origin in the anisotropy of the atoms' potential energy surface. Our results therefore reveal chaotic behaviour in the native interaction between ultracold atoms.
International Nuclear Information System (INIS)
Kimura, M.
1989-01-01
We show the complete removal of the nonorthogonality of wave functions between initial and final states in the Born theory. Hence, this treatment offers more realistic electron capture cross sections in high energy ion-atom collisions. Representative results for resonant electron capture in H + + H collision are discussed in conjunction with other perturbative results. 10 refs., 1 fig
Theoretical atomic and molecular physics at X ICPEAC
International Nuclear Information System (INIS)
Schneider, B.I.
1977-01-01
A brief discussion is presented of those theoretical contributions at the X ICPEAC which seemed most personally exciting or drew the most comments or response from other participants at the meeting. Personal bias will inevitably be obvious and for this I can only apologize to the other speakers and participants at the conference
Activities of the theoretical nuclear physics group of the Atomic Energy National Commission
International Nuclear Information System (INIS)
Reich, S.L.
1982-01-01
The theoretical studies that have been made in the Atomic Energy National Commission of Argentina about nuclear reactions, nuclear field theories, boson techniques and Hartree-Fock approximation, etc., are reported. (L.C.) [pt
Theoretical study of the reaction kinetics of atomic bromine with tetrahydropyran
Giri, Binod; Lo, John M H; Roscoe, John M.; Alquaity, Awad; Farooq, Aamir
2015-01-01
A detailed theoretical analysis of the reaction of atomic bromine with tetrahydropyran (THP, C5H10O) was performed using several ab initio methods and statistical rate theory calculations. Initial geometries of all species involved in the potential
A quantum-mechanical study of atom-diatom collisions in a laser field
International Nuclear Information System (INIS)
Chang, Sintarng.
1989-01-01
A quantum-mechanical formalism, in both space-fixed (SF) and body-fixed (BF) coordinate systems, is developed for describing an S-state structureless atom (A) colliding with a Estate vibrating rotor diatomic molecule (BC) in the presence of a laser field. The additional Hamiltonians H rad and H int , which describe the laser field and its interaction with the atom-diatom collision system, have been added to the field-free Hamiltonian Ho. And the collision problem can be solved by this extended Hamiltonian. The laser field Hamiltonian is represented by the number state representation. The interaction Hamiltonian is expressed by rvec μ BC . rvec ε, where rvec μ BC is the dipole moment of the diatomic molecule BC, and rvec ε is the electric field strength of the laser field. Since the field-free total angular momentum J is coupling with the laser field, J and its z-axis projection M are no longer conserved. To facilitate the collision problem, the laser field is restricted to a single mode, and its interaction with the collision only involves dipole allowed transitions in which a single photon is absorbed or emitted. For convenience, the coupled-channel equations are solved by the real boundary conditions instead of the complex boundary conditions. On applying the real boundary conditions, the author obtains the K-matrix, which is related to the S-matrix by S = (I + iK)(I - iK) -1 . A model calculation is discussed for the Ar + CO collision system in a laser intensity of 10 9 W/cm 2
Theoretical profiles of the spectral lines of the hydrogen atom
International Nuclear Information System (INIS)
Nguyen, H.; Herman, L.; Drawin, H.W.
1965-01-01
The line-broadening problem of the hydrogen lines has been formulated in the quasistatic approximation as far as the ions are concerned, and in the classical path approximation as far as the broadening due to collisions with electrons is concerned. These electrons interfere in different numerical results only by the self-correlation function of the fluctuating electrical field strength created at each point in the plasma. The Lewis correction has been applied, but using the whole velocity distribution function of the electrons. The formula which represents the usual impact profile, valid only for frequencies much smaller than the plasma frequency, has been extended using another formula which will be valid up to the neighbourhood of that spectral region where the quasi-static approximation begins to be valid also for the electrons. As an example, the line profile of Ly α is given by some graphs for T = 10 4 deg. K and electron densities N = 10 17 cm -3 and N = 10 18 cm -3 . (authors) [fr
Bose-Einstein condensates in atomic gases: simple theoretical results
International Nuclear Information System (INIS)
Castin, Y.
2001-01-01
The author presents the theory of the Bose-Einstein condensation along with a discussion of experimental tests. The author deals successively with the following topics: - the ideal Bose gas in a trap (first in a harmonic trap and then in a more general trap), - a model for the atomic interaction, - interacting Bose gas in the Hartree-Fock approximation, - properties of the condensate wavefunction, - the Gross-Pitaevskii equation, - Bogoliubov approach and thermodynamical stability, - phase coherence properties at the Bose-Einstein condensate, and - symmetry-breaking description of condensates. (A.C.)
Fragmentation of neutral carbon clusters formed by high velocity atomic collision
International Nuclear Information System (INIS)
Martinet, G.
2004-05-01
The aim of this work is to understand the fragmentation of small neutral carbon clusters formed by high velocity atomic collision on atomic gas. In this experiment, the main way of deexcitation of neutral clusters formed by electron capture with ionic species is the fragmentation. To measure the channels of fragmentation, a new detection tool based on shape analysis of current pulse delivered by semiconductor detectors has been developed. For the first time, all branching ratios of neutral carbon clusters are measured in an unambiguous way for clusters size up to 10 atoms. The measurements have been compared to a statistical model in microcanonical ensemble (Microcanonical Metropolis Monte Carlo). In this model, various structural properties of carbon clusters are required. These data have been calculated with Density Functional Theory (DFT-B3LYP) to find the geometries of the clusters and then with Coupled Clusters (CCSD(T)) formalism to obtain dissociation energies and other quantities needed to compute fragmentation calculations. The experimental branching ratios have been compared to the fragmentation model which has allowed to find an energy distribution deposited in the collision. Finally, specific cluster effect has been found namely a large population of excited states. This behaviour is completely different of the atomic carbon case for which the electron capture in the ground states predominates. (author)
Correlated charge changing ion-atom collisions. Progress report, March 15, 1985-March 14, 1986
International Nuclear Information System (INIS)
Bernstein, E.M.; Tanis, J.A.
1986-04-01
X-ray emission associated with projectile charge-changing events in ion-atom collisions has been used to isolate and investigate excitation, ionization, and charge transfer, as well as combinations of these processes. New measurements were made of K-shell and L-shell resonant transfer and excitation (RTE) for 210 to 300 MeV 20 Ca/sup 10,11+/ + H 2 collisions and 230 to 610 MeV 41 Nb 31+ + H 2 collisions, respectively. Nonresonant transfer and excitation (NTE) was studied for 40 to 160 MeV S 13+ + Ne. Single-electron capture and loss measurements, requiring accel-decel techniques, were made for 2.5 to 200 MeV S 13+ on He. In the case of Ca/sup 16,17,18,19 + / + H 2 collisions the single capture cross cross sections exhibit a nonmonotonic energy dependence which we attribute to RTE. Double-electron capture in single collisions was investigated for S 13+ + He and Ne and Ar 15+ + Ne and the cross sections were found to be 10 to 100 times smaller than the single-capture cross sections. Measured two-electron loss cross sections for Ca/sup q + / ions incident on H 2 vary with charge state and depend strongly on whether L- or K-shell electrons are removed. Measurements of simultaneous projectile excitation and electron loss for several collision systems indicate that K-vacancy production occurs primarily through excitation rather than loss of the 1s electron. 13 refs
International Nuclear Information System (INIS)
Fawcett, B.C.; Mason, H.E.
1989-02-01
This report presents details of a new method to enable the computation of collision strengths for complex ions which is adapted from long established optimisation techniques previously applied to the calculation of atomic structures and oscillator strengths. The procedure involves the adjustment of Slater parameters so that they determine improved energy levels and eigenvectors. They provide a basis for collision strength calculations in ions where ab initio computations break down or result in reducible errors. This application is demonstrated through modifications of the DISTORTED WAVE collision code and SUPERSTRUCTURE atomic-structure code which interface via a transformation code JAJOM which processes their output. (author)
Collisions of low-energy antiprotons and protons with atoms and molecules
International Nuclear Information System (INIS)
Luehr, Armin
2010-01-01
Antiproton (anti p) collisions have evolved to a powerful tool for the testing of dynamic electron correlations in atoms and molecules. While advances in the understanding of anti p collisions with the simplest one- and two-electron atoms, H and He, have been achieved experiment and theory did not agree for low-energy anti p+He collisions ( 2 despite its fundamental role in representing the simplest two-electron molecule. The obtained results may be useful for the anti p experiments at CERN (e.g., antihydrogen production) and in particular for the facility design of low-energy anti p storage rings (e.g., at FLAIR) where a precise knowledge of the anti p interaction with the dominant residual-gas molecule H 2 is needed. In this work a nonperturbative, time-dependent numerical approach is developed which describes ionization and excitation of atoms or molecules by either anti p or p impact based on the impact-parameter method. A spectral close-coupling method is employed for solving the time-dependent Schroedinger equation in which the scattering wave function is expanded in (effective) one- or two-electron eigenstates of the target. This includes for the first time a full two-electron, two-center description of the H 2 molecule in anti p collisions. The radial part of the one-electron eigenstates is expanded in B splines while the two-electron basis is obtained with a configurationinteraction approach. Calculations are performed for anti p collisions with H, H 2 + , and H 2 as well as with He and alkali-metal atoms Li, Na, K, and Rb. Additionally, data are obtained for p collisions with H 2 , Li, Na, and K. The developed method is tested and validated by detailed comparison of the present findings for p impacts and for anti p+He collisions with literature data. On the other hand, total and differential cross sections for ionization and excitation of the targets by anti p impact complement the sparse literature data of this kind. Results gained from different targets
Formation of H(2s) atoms by excitation in 10-100 keV H+-H collisions
International Nuclear Information System (INIS)
Higgins, D.P.; Geddes, J.; Gilbody, H.B.
1996-01-01
Cross sections for 2s excitation of H atoms in 10-100 keV H + -H collisions have been determined using a modulated crossed-beam technique. The measurements have been based on observations of the Lyman alpha radiation emitted during electric-field-induced decay of the metastable H(2s) collision products. The results extend the range of the 5-26 keV cross sections measured by Morgan and co-workers to intermediate energies where theoretical predictions based on close-coupling methods are known to be strongly dependent on the choice of the expansion basis. The present cross sections pass through a broad maximum at about 40 keV. Over the range 5-100 keV the available experimental data exhibit an undulatory structure similar to that predicted by some close-coupling calculations but good quantitative agreement is very limited. Close-coupling calculations which employ large basis sets and include a large number of projectile states at the expense of target states are shown to agree less satisfactorily with experiment than those which include only the dominant 1s capture projectile channel. (Author)
Theoretical investigation of exchange and recombination reactions in O(3P)+NO(2Π) collisions
International Nuclear Information System (INIS)
Ivanov, M. V.; Zhu, H.; Schinke, R.
2007-01-01
We present a detailed dynamical study of the kinetics of O( 3 P)+NO( 2 Π) collisions including O atom exchange reactions and the recombination of NO 2 . The classical trajectory calculations are performed on the lowest 2 A ' and 2 A '' potential energy surfaces, which were calculated by ab initio methods. The calculated room temperature exchange reaction rate coefficient, k ex , is in very good agreement with the measured one. The high-pressure recombination rate coefficient, which is given by the formation rate coefficient and to a good approximation equals 2k ex , overestimates the experimental data by merely 20%. The pressure dependence of the recombination rate, k r , is described within the strong-collision model by assigning a stabilization probability to each individual trajectory. The measured falloff curve is well reproduced over five orders of magnitude by a single parameter, i.e., the strong-collision stabilization frequency. The calculations also yield the correct temperature dependence, k r ∝T -1.5 , of the low-pressure recombination rate coefficient. The dependence of the rate coefficients on the oxygen isotopes are investigated by incorporating the difference of the zero-point energies between the reactant and product NO radicals, Δ ZPE , into the potential energy surface. Similar isotope effects as for ozone are predicted for both the exchange reaction and the recombination. Finally, we estimate that the chaperon mechanism is not important for the recombination of NO 2 , which is in accord with the overall T -1.4 dependence of the measured recombination rate even in the low temperature range
Low-energy charge transfer for collisions of Si3+ with atomic hydrogen
Bruhns, H.; Kreckel, H.; Savin, D. W.; Seely, D. G.; Havener, C. C.
2008-06-01
Cross sections of charge transfer for Si3+ ions with atomic hydrogen at collision energies of ≈40-2500eV/u were carried out using a merged-beam technique at the Multicharged Ion Research Facility at Oak Ridge National Laboratory. The data span an energy range in which both molecular orbital close coupling (MOCC) and classical trajectory Monte Carlo (CTMC) calculations are available. The influence of quantum mechanical effects of the ionic core as predicted by MOCC is clearly seen in our results. However, discrepancies between our experiment and MOCC results toward higher collision energies are observed. At energies above 1000 eV/u good agreement is found with CTMC results.
Ab initio study of charge transfer in B2+ low-energy collisions with atomic hydrogen
Turner, A. R.; Cooper, D. L.; Wang, J. G.; Stancil, P. C.
2003-07-01
Charge transfer processes due to collisions of ground state B2+(2s 2S) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial and rotational coupling matrix elements obtained with the spin-coupled valence-bond approach. Total and state-selective cross sections and rate coefficients are presented. Comparison with the existing experiments shows our results to be in good agreement. When EMOCC cross sections with and without rotational coupling are small (400 eV/u, inclusion of rotational coupling increases the total cross section by 50% 80%, improving the agreement between the current calculations and experiments. For state-selective cross sections, rotational coupling induces mixing between different symmetries; however, its effect, especially at low collision energies, is not as important as had been suggested in previous work.
Low Energy Charge Transfer for Collisions of Si^{3+} with Atomic Hydrogen
Energy Technology Data Exchange (ETDEWEB)
Bruhns, H. [Columbia University; Kreckel, H. [Columbia University; Savin, D. W. [Columbia University; Seely, D. G. [Albion College; Havener, Charles C [ORNL
2008-01-01
Cross sections of charge transfer for Si{sup 3+} ions with atomic hydrogen at collision energies of {approx} 40-2500 eV/u were carried out using a merged-beam technique at the Multicharged Ion Research Facility at Oak Ridge National Laboratory. The data span an energy range in which both molecular orbital close coupling (MOCC) and classical trajectory Monte Carlo (CTMC) calculations are available. The influence of quantum mechanical effects of the ionic core as predicted by MOCC is clearly seen in our results. However, discrepancies between our experiment and MOCC results toward higher collision energies are observed. At energies above 1000 eV/u good agreement is found with CTMC results.
Ab initio study of charge transfer in B2+ low-energy collisions with atomic hydrogen
International Nuclear Information System (INIS)
Turner, A.R.; Cooper, D.L.; Wang, J.G.; Stancil, P.C.
2003-01-01
Charge transfer processes due to collisions of ground state B 2+ (2s 2 S) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial and rotational coupling matrix elements obtained with the spin-coupled valence-bond approach. Total and state-selective cross sections and rate coefficients are presented. Comparison with the existing experiments shows our results to be in good agreement. When E 400 eV/u, inclusion of rotational coupling increases the total cross section by 50%-80%, improving the agreement between the current calculations and experiments. For state-selective cross sections, rotational coupling induces mixing between different symmetries; however, its effect, especially at low collision energies, is not as important as had been suggested in previous work
US-Japan workshop on atomic collisions in solids: Abstracts of lectures
International Nuclear Information System (INIS)
1990-03-01
This report contains abstracts on the following topics: techniques of scanning probe microscopy; new types of radiation; a search for wake-riding electrons using slow antiproton beams; antiproton wake: theory; bending of swift ion beams by graphite foils; angular momentum distribution of autoionizing rydberg states: produced by 64 MeV S ions in collisions with C foils; multiphonon energy exchange in atom-surface collisions; plans for positron experiments; resonant coherent excitation: experiment; line shapes in resonant coherent excitation: theory; MUSE experiments and Monte Carlo simulation; inelastic interactions of electrons and positrons with solids; density fluctuation detection; cluster-impact fusion; a model for cluster-impact fusion; thoughts on cold fusion; and plasmon decay
Computer simulations of atomic collisions in solids with special emphasis on sputtering
International Nuclear Information System (INIS)
Andersen, H.H.
1986-01-01
Computer simulations of atomic collisions in solids are traditionally divided into fully interacting or molecular dynamics (MD) simulations on the one side and simulations based on the binary collision approximation (BCA) on the other. The historical development of both branches is followed and other dichotomies viz. between static and dynamic target models and between models using crystalline and amorphous targets are introduced. The influence of the main input parameters, viz. interatomic potentials, surface- and bulk-binding energies and inelasticity is discussed before selected results are treated. Here, results for non-linear effects, clusters, fluctuations and for angular distributions are presented. The review is concluded with a discussion of the influence of computer developments on future simulations. With 392 refs
International Nuclear Information System (INIS)
O'Neill, J.A.; Cai, J.Y.; Flynn, G.W.; Weston, R.E. Jr.
1986-01-01
The 193 nm excimer laser photolysis of D 2 S in D 2 S/CO 2 mixtures produces fast deuterium atoms (E/sub TR/approx.2.2 eV) which vibrationally excite CO 2 molecules via inelastic translation--vibration/rotation (T--V/R) energy exchange processes. A high resolution (10 -3 cm -1 ) cw diode laser probe was used to monitor the excitation of ν 3 (antisymmetric stretch) and ν 2 (bend) vibrations in CO 2 . The present results are compared with previous experiments involving hot hydrogen atom excitation of CO 2 in H 2 S/CO 2 mixtures as well as with theoretical calculations of the excitation probability. The probability for excitation of a ν 3 quantum in CO 2 is about 1%--2% per gas kinetic D/CO 2 collision. Bending (ν 2 ) quanta are produced about eight times more efficiently than antisymmetric stretching (ν 3 ) quanta. The thermalization rate for cooling hot D atoms below the threshold for production of a ν 3 vibrational quantum corresponds to less than 2 D*/D 2 S collisions or 15 D*/CO 2 collisions
Belkic, Dzevad
Inelastic collisions between bare nuclei and hydrogen-like atomic systems are characterized by three main channels: electron capture, excitation, and ionization. Capture dominates at lower energies, whereas excitation and ionization prevail at higher impact energies. At intermediate energies and in the region of resonant scattering near the Massey peak, all three channels become competitive. For dressed or clothed nuclei possessing electrons, such as hydrogen-like ions, several additional channels open up, including electron loss (projectile ionization or stripping). The most important aspect of electron loss is the competition between one- and two-electron processes. Here, in a typical one-electron process, the projectile emits an electron, whereas the target final and initial states are the same. A prototype of double-electron transitions in loss processes is projectile ionization accompanied with an alteration of the target state. In such a two-electron process, the target could be excited or ionized. The relative importance of these loss channels with single- and double-electron transitions involving collisions of dressed projectiles with atomic systems is also strongly dependent on the value of the impact energy. Moreover, impact energies determine which theoretical method is likely to be more appropriate to use for predictions of cross sections. At low energies, an expansion of total scattering wave functions in terms of molecular orbitals is adequate. This is because the projectile spends considerable time in the vicinity of the target, and as a result, a compound system comprised of the projectile and the target can be formed in a metastable molecular state which is prone to decay. At high energies, a perturbation series expansion is more appropriate in terms of powers of interaction potentials. In the intermediate energy region, atomic orbitals are often used with success while expanding the total scattering wave functions. The present work is focused on
Rabli, Djamal; McCarroll, Ronald
2018-02-01
This review surveys the different theoretical approaches, used to describe inelastic and rearrangement processes in collisions involving atoms and ions. For a range of energies from a few meV up to about 1 keV, the adiabatic representation is expected to be valid and under these conditions, inelastic and rearrangement processes take place via a network of avoided crossings of the potential energy curves of the collision system. In general, such avoided crossings are finite in number. The non-adiabatic coupling, due to the breakdown of the Born-Oppenheimer separation of the electronic and nuclear variables, depends on the ratio of the electron mass to the nuclear mass terms in the total Hamiltonian. By limiting terms in the total Hamiltonian correct to first order in the electron to nuclear mass ratio, a system of reaction coordinates is found which allows for a correct description of both inelastic channels. The connection between the use of reaction coordinates in the quantum description and the electron translation factors of the impact parameter approach is established. A major result is that only when reaction coordinates are used, is it possible to introduce the notion of a minimal basis set. Such a set must include all avoided crossings including both radial coupling and long range Coriolis coupling. But, only when reactive coordinates are used, can such a basis set be considered as complete. In particular when the centre of nuclear mass is used as centre of coordinates, rather than the correct reaction coordinates, it is shown that erroneous results are obtained. A few results to illustrate this important point are presented: one concerning a simple two-state Landau-Zener type avoided crossing, the other concerning a network of multiple crossings in a typical electron capture process involving a highly charged ion with a neutral atom.
Theoretical Study of Triatomic Systems Involving Helium Atoms
International Nuclear Information System (INIS)
Suno, H.; Hiyama, E.; Kamimura, M.
2013-01-01
The triatomic 4 He system and its isotopic species 4 He 2 3 He are theoretically investigated. By adopting the best empirical helium interaction potentials, we calculate the bound state energy levels as well as the rates for the three-body recombination processes: 4 He + 4 He + 4 He → 4 He 2 + 4 He and 4 He + 4 He + 3 He → 4 He 2 + 3 He. We consider not only zero total angular momentum J = 0 states, but also J > 0 states. We also extend our study to mixed helium-alkali triatomic systems, that is 4 He 2 X with X = 7 Li, 23 Na, 39 K, 85 Rb, and 133 Cs. The energy levels of all the J ≥ 0 bound states for these species are calculated as well as the rates for three-body recombination processes such as 4 He + 4 He + 7 Li → 4 He 2 + 7 Li and 4 He + 4 He + 7 Li → 4 He 7 Li + 4 He. In our calculations, the adiabatic hyperspherical representation is employed but we also obtain preliminary results using the Gaussian expansion method. (author)
International Nuclear Information System (INIS)
Zouros, T.J.M.; Benis, E.P.; Zamkov, M.; Lin, C.D.; Lee, T.G.; Richard, P.; Gorczyca, T.W.; Morishita, T.
2005-01-01
The production of triply excited states of Li-like systems has recently been extended beyond the lithium atom using two different ion-atom collisional techniques: (a) Triple-electron capture into 2s2p 2 and 2p 3 states of F 6+ formed in fast collisions of bare F 9+ ions with Ar and Kr atoms and (b) 180 deg. resonant scattering of quasi-free electrons of H 2 from the 1s2s 3 S metastable state of He-like B, C, N, O and F ions via the 2s2p 2 2 D resonance. Autoionization energies, decay branching ratios and production cross sections for these states were measured using zero-degree Auger projectile electron spectroscopy and compared to theoretical calculations using hyperspherical close coupling (HSCC) and R-matrix methods
International Nuclear Information System (INIS)
Shafii, Mohammad Ali; Meidianti, Rahma; Wildian,; Fitriyani, Dian; Tongkukut, Seni H. J.; Arkundato, Artoto
2014-01-01
Theoretical analysis of integral neutron transport equation using collision probability (CP) method with quadratic flux approach has been carried out. In general, the solution of the neutron transport using the CP method is performed with the flat flux approach. In this research, the CP method is implemented in the cylindrical nuclear fuel cell with the spatial of mesh being conducted into non flat flux approach. It means that the neutron flux at any point in the nuclear fuel cell are considered different each other followed the distribution pattern of quadratic flux. The result is presented here in the form of quadratic flux that is better understanding of the real condition in the cell calculation and as a starting point to be applied in computational calculation
Energy Technology Data Exchange (ETDEWEB)
Shafii, Mohammad Ali, E-mail: mashafii@fmipa.unand.ac.id; Meidianti, Rahma, E-mail: mashafii@fmipa.unand.ac.id; Wildian,, E-mail: mashafii@fmipa.unand.ac.id; Fitriyani, Dian, E-mail: mashafii@fmipa.unand.ac.id [Department of Physics, Andalas University Padang West Sumatera Indonesia (Indonesia); Tongkukut, Seni H. J. [Department of Physics, Sam Ratulangi University Manado North Sulawesi Indonesia (Indonesia); Arkundato, Artoto [Department of Physics, Jember University Jember East Java Indonesia (Indonesia)
2014-09-30
Theoretical analysis of integral neutron transport equation using collision probability (CP) method with quadratic flux approach has been carried out. In general, the solution of the neutron transport using the CP method is performed with the flat flux approach. In this research, the CP method is implemented in the cylindrical nuclear fuel cell with the spatial of mesh being conducted into non flat flux approach. It means that the neutron flux at any point in the nuclear fuel cell are considered different each other followed the distribution pattern of quadratic flux. The result is presented here in the form of quadratic flux that is better understanding of the real condition in the cell calculation and as a starting point to be applied in computational calculation.
Effective stopping of relativistic structural heavy ions at collisions with atoms
International Nuclear Information System (INIS)
Matveev, V.I.
2002-01-01
One develops the unperturbed theory of energy losses at collision of atoms with structural high-charged heavy ions moving with relativistic velocity. One derived a simple formula for efficient braking. The structural ions in terms of this paper are considered to mean partially ionized ions of heavy elements compressing ion nucleus and some bound electrons compensating partially for ion nucleus charge. Account of ion charge magnitude is determined to result in essential increase of efficient braking of ion in contrast to braking of point nucleus of Z* charge [ru
Excitation of atoms and molecules in collisions with highly charged ions
International Nuclear Information System (INIS)
Watson, R.L.
1991-01-01
Much of the work this year has been directed toward studies of charge exchange and ionization in single collisions of heavy ions with gaseous atoms and molecules. A study of the double ionization of He by high energy N 7+ ions, which began last year, was extended up in energy to 40 MeV/amu. These measurements verified the deviations from the predictions of theory observed in our previous work and indicated that the energy required to reach the limiting value of the ratio of double-to-single ionization cross sections may be as high as 70 MeV/amu
Correlated double electron capture in slow, highly charged ion-atom collisions
Energy Technology Data Exchange (ETDEWEB)
Stolterfoht, N.; Havener, C.C.; Phaneuf, R.A.; Swenson, J.K.; Shafroth, S.M.; Meyer, F.W.
1986-01-01
Recent measurements of autoionization electrons produced in slow, highly charged ion-atom collisions are reviewed. Mechanisms for double electron capture into equivalent and nonequivalent configurations are analyzed by comparing the probabilities for the creation of L/sub 1/L/sub 23/X Coster Kronig electrons and L-Auger electrons. It is shown that the production of the Coster-Kronig electrons is due to electron correlation effects whose analysis leads beyond the independent-particle model. The importance of correlation effects on different capture mechanisms is discussed. 28 refs., 6 figs.
Correlated double electron capture in slow, highly charged ion-atom collisions
International Nuclear Information System (INIS)
Stolterfoht, N.; Havener, C.C.; Phaneuf, R.A.; Swenson, J.K.; Shafroth, S.M.; Meyer, F.W.
1986-01-01
Recent measurements of autoionization electrons produced in slow, highly charged ion-atom collisions are reviewed. Mechanisms for double electron capture into equivalent and nonequivalent configurations are analyzed by comparing the probabilities for the creation of L 1 L 23 X Coster Kronig electrons and L-Auger electrons. It is shown that the production of the Coster-Kronig electrons is due to electron correlation effects whose analysis leads beyond the independent-particle model. The importance of correlation effects on different capture mechanisms is discussed. 28 refs., 6 figs
Potentials and scattering cross sections for collisions of He atoms with adsorbed CO
International Nuclear Information System (INIS)
Liu, W.K.; Gumhalter, B.
1986-05-01
Ab initio calculations of the total scattering cross section for the collision system He → CO/Pt(111) within the renormalized distorted wave Born approximation are reported. The interaction potential for this atom-adsorbate system consists of the usual two-body gas phase-like potential as well as two additional substrate mediated van de Waals contributions, all with similar long range behaviour. Comparison of the calculated cross sections for various incident velocities and angles with available experimental data is made without using any adjustable parameters to fit the data, and the importance of including the substrate-mediated forces is emphasized. (author)
Radiative double electron capture in fast heavy ion-atom collisions
International Nuclear Information System (INIS)
Yakhontov, V.L.; Amusia, M.Ya.
1996-01-01
Two-electron capture with emission of a single photon (TESP) in collisions of highly charged ions with light atoms is considered. Such a process is actually a time-reversed double photoionization but occurring at specific kinematics. In the lowest order in the inter-electron interaction, the TESP probability is determined by two diagrams which are evaluated analytically by means of the Coulomb Green function. The calculated ratio of the TESP and single recombination cross sections is in fair agreement with the data obtained in the recent experimental study of this phenomena. (orig.)
International Nuclear Information System (INIS)
Zouros, T.J.M.; Lee, D.H.; Sanders, J.M.; Richard, P.
1993-01-01
The effect of electron-electron interactions between projectile and target electrons observed in recent measurements of projectile K-shell excitation and ionization using 0 projectile Auger electron spectroscopy are analysed within the framework of the impulse approximation (IA). The IA formulation is seen to give a good account of the threshold behavior of both ionization and excitation, while providing a remarkably simple intuitive picture of such electron-electron interactions in ion-atom collisions in general. Thus, the applicability of the IA treatment is extended to cover most known processes involving such interactions including resonance transfer excitation, binary encounter electron production, electron-electron excitation and ionization. (orig.)
Discussion of electron capture theories for ion-atom collisions at high energies
Energy Technology Data Exchange (ETDEWEB)
Miraglia, J E [Instituto de Astronomia y Fisica del Espacio, Buenos Aires (Argentina); Piacentini, R D [Consejo Nacional de Investigaciones Cientificas y Tecnicas, Buenos Aires (Argentina); Rivarola, R D [Rosario Univ. Nacional (Argentina). Dept. de Fisica; Salin, A [Bordeaux-1 Univ., 33 - Talence (France)
1981-03-14
Different theories of charge exchange processes in ion-atom collisions at high energies for the H/sup +/-H system are considered. Large discrepancies are found in the differential cross sections obtained from the various models. The validity of Dettmann's peaking approximation is analysed by comparison with exact values for the first- and second-order Oppenheimer-Brinkman-Kramers (OBK 1 and OBK 2) theories. It is also shown that for energies up to a few MeV the OBK 2 differential cross sections are higher than the corresponding OBK 1 ones. Total cross sections in the OBK 2 approximation are given.
MARLOWE 15b, Computer Simulation of Atomic Collisions in Crystalline Solids
International Nuclear Information System (INIS)
2007-01-01
1 - Description of problem or function: The MARLOWE program simulates atomic collisions in crystalline targets using the binary collision approximation. It follows out the consequences of launching an energetic atomic projectile, from either an external beam or an interior site, into a target. The targets may have many material regions, each with its own arbitrary (triclinic) crystal structure and with many kinds of atoms. The program follows the slowing-down of the primary particle and, if desired, that of all target particles which are displaced from their lattice sites, until they either leave the target or fall below a selected low kinetic energy. All cascades may be initiated in undamaged material or damage may be accumulated from one cascade to another; cascades may be run in groups of a selected size. The User's Guide contains a detailed listing of changes in Version 15 and a summary of changes in earlier versions. Version 15b of MARLOWE, dated 5 December 2002, includes some error corrections for the previous release. The new package includes Version 3 of TABULA, a program which uses MARLOWE interatomic potential energy functions to tabulate the classical elastic scattering integrals and related data. News about Marlowe will be posted on the developer's web site from time-to-time http://www.ssd.ornl.gov/Programs/Marlowe/Marlowe.htm. 2 - Method of solution: The particle trajectories are constructed as series of binary encounters between the projectiles and the initially stationary target atoms. Elastic scattering is governed by one of several interatomic potentials. The interactions which bind atoms into crystals are modelled by including binding energies between atoms and their original lattice sites as well as binding to the entire crystal. Inelastic (electron excitation) effects are included in a low-energy (< ∼25 keV/amu) approximation. Provision is made for users to supply alternative interatomic potential functions, inelastic energy-loss functions
Energy Technology Data Exchange (ETDEWEB)
Grieve, M. F. R.; Ramsbottom, C. A.; Hudson, C. E. [Centre for Theoretical Atomic, Molecular and Optical Physics, School of Mathematics and Physics, Queen' s University Belfast, Belfast, BT7 1NN (United Kingdom); Keenan, F. P., E-mail: c.ramsbottom@qub.ac.uk [Astrophysics Research Centre, School of Mathematics and Physics, Queen' s University Belfast, Belfast, BT7 1NN (United Kingdom)
2014-01-01
We present Maxwellian-averaged effective collision strengths for the electron-impact excitation of S III over a wide range of electron temperatures of astrophysical importance, log T{sub e} (K) = 3.0-6.0. The calculation incorporates 53 fine-structure levels arising from the six configurations—3s {sup 2}3p {sup 2}, 3s3p {sup 3}, 3s {sup 2}3p3d, 3s {sup 2}3p4s, 3s {sup 2}3p4p, and 3s {sup 2}3p4d—giving rise to 1378 individual lines and is undertaken using the recently developed RMATRX II plus FINE95 suite of codes. A detailed comparison is made with a previous R-matrix calculation and significant differences are found for some transitions. The atomic data are subsequently incorporated into the modeling code CLOUDY to generate line intensities for a range of plasma parameters, with emphasis on allowed ultraviolet extreme-ultraviolet emission lines detected from the Io plasma torus. Electron density-sensitive line ratios are calculated with the present atomic data and compared with those from CHIANTI v7.1, as well as with Io plasma torus spectra obtained by Far-Ultraviolet Spectroscopic Explorer and Extreme-Ultraviolet Explorer. The present line intensities are found to agree well with the observational results and provide a noticeable improvement on the values predicted by CHIANTI.
Electron Capture in Slow Collisions of Si4+ With Atomic Hydrogen
Joseph, D. C.; Gu, J. P.; Saha, B. C.
2009-10-01
In recent years the charge transfer involving Si4+ and H at low energies has drawn considerable attention both theoretically and experimentally due to its importance not only in astronomical environments but also in modern semiconductor industries. Accurate information regarding its molecular structures and interactions are essential to understand the low energy collision dynamics. Ab initio calculations are performed using the multireference single- and double-excitation configuration-interaction (MRD-CI) method to evaluate potential energies. State selective cross sections are calculate using fully quantum and semi-classical molecular-orbital close coupling (MOCC) methods in the adiabatic representation. Detail results will be presented in the conference.
DEFF Research Database (Denmark)
Kirchner, Tom; Knudsen, Helge
2011-01-01
Experimental and theoretical progress in the field of antiproton-impact-induced ionization of atoms and molecules is reviewed. We describe the techniques used to measure ionization cross sections and give an overview of the experimental results supplemented by tables of all existing data. An atte......Experimental and theoretical progress in the field of antiproton-impact-induced ionization of atoms and molecules is reviewed. We describe the techniques used to measure ionization cross sections and give an overview of the experimental results supplemented by tables of all existing data...
Electron-electron interaction and transfer ionization in fast ion-atom collisions
International Nuclear Information System (INIS)
Voitkiv, A B
2008-01-01
Recently it was pointed out that electron capture occurring in fast ion-atom collisions can proceed via a mechanism which earlier was not considered. In the present paper we study this mechanism in more detail. Similarly as in radiative capture, where the electron transfer occurs due to the interaction with the radiation field and proceeds via emission of a photon, within this mechanism the electron capture is caused by the interaction with another atomic electron leading mainly to the emission of the latter. In contrast to the electron-electron Thomas capture, this electron-electron (E-E) mechanism is basically a first-order one having similarities to the kinematic and radiative capture channels. It also possesses important differences with the latter two. Leading to transfer ionization, this first-order capture mechanism results in the electron emission mainly in the direction opposite to the motion of the projectile ion. The same, although less pronounced, feature is also characteristic for the momenta of the target recoil ions produced via this mechanism. It is also shown that the action of the E-E mechanism is clearly seen in recent experimental data on the transfer ionization in fast proton-helium collisions.
Forward electron production in heavy ion-atom and ion-solid collisions
International Nuclear Information System (INIS)
Sellin, I.A.
1984-01-01
A sharp cusp in the velocity spectrum of electrons, ejected in ion-atom and ion-solid collisions, is observed when the ejected electron velocity vector v/sub e/ matches that of the emergent ion vector v/sub p/ in both speed and direction. In ion-atom collisions, the electrons originate from capture to low-lying, projectile-centered continuum states (ECC) for fast bare or nearly bare projectiles, and from loss to those low-lying continuum states (ELC) when loosely bound projectile electrons are available. Most investigators now agree that ECC cusps are strongly skewed toward lower velocities, and exhibit full widths half maxima roughly proportional to v/sub p/ (neglecting target-shell effects, which are sometimes strong). A close examination of recent ELC data shows that ELC cusps are instead nearly symmetric, with widths nearly independent on v/sub p/ in the velocity range 6 to 18 a.u., a result only recently predicted by theory. Convoy electron cusps produced in heavy ion-solid collisions at MeV/u energies exhibit approximately velocity-independent widths very similar to ELC cusp widths. While the shape of the convoy peaks is approximately independent of projectile Z, velocity, and of target material, it is found that the yields in polycrystalline targets exhibit a strong dependence on projectile Z and velocity. While attempts have been made to link convoy electron production to binary ECC or ELC processes, sometimes at the last layer, or alternatively to a solid-state wake-riding model, our measured dependences of cusp shape and yield on projectile charge state and energy are inconsistent with the predictions of available theories. 10 references, 8 figures, 1 table
Cross-sections for inelastic collisions of fast charged particles with atoms and molecules
International Nuclear Information System (INIS)
Inokuti, M.
1987-01-01
Despite the long history of research, the current experimental data of the cross-sections, required for solving problems of radiological physics and dosimetry, are far from being complete or even satisfactory for tentative applications. Calculations are, in general, difficult and only in exceptional situations lead to reliable results. Thus, one practical approach to the cross-section determination is to test experimental data with general criteria. This is possible because cross-sections for various processes are related among themselves and with many other properties of atoms and molecules. For example, the Bethe theory indicates a close connection between photoabsorption and energy absorption by glancing collisions and puts many other useful constraints on the cross-section data. Development and use of these data constraints, first advanced by Platzman, can now be demonstrated in many examples. More recent studies concern the determination of the analytic expression most suitable for fitting the data on the oscillator strength distribution or the energy distribution of secondary electrons from ionizing collisions of charged particles. There are three areas to which major efforts should be directed: (1) Methods of absolute cross-section measurements, both for electron and ionic collisions, must be thoroughly reviewed so that sources of systematic errors may be identified and corrected. (2) Efforts should be devoted to the understanding of the data systematics, viz. the trends of cross-sections for a series of molecules. This is especially important because the variety of molecules relevant to radiological physics and radiation biology is so enormous that even the data presentation for each molecule will be impractical. (3) Electron and ionic collisions with molecules in condensed phases will be an important topic of study for years to come. Initial reports on efforts in this direction are encouraging. 49 refs
Amusia, Miron Ya; Yarzhemsky, Victor
2012-01-01
The aim of this book is to present highly accurate and extensive theoretical Atomic data and to give a survey of selected calculational methods for atomic physics, used to obtain these data. The book presents the results of calculations of cross sections and probabilities of a broad variety of atomic processes with participation of photons and electrons, namely on photoabsorption, electron scattering and accompanying effects. Included are data for photoabsorption and electron scattering cross-sections and probabilities of vacancy decay formed for a large number of atoms and ions. Attention is also given to photoionization and vacancy decay in endohedrals and to positron-atom scattering. The book is richly illustrated. The methods used are one-electron Hartree-Fock and the technique of Feynman diagrams that permits to include many-electron correlations. This is done in the frames of the Random Phase approximation with exchange and the many-body perturbation theory. Newly obtained and previously collected atomi...
International Nuclear Information System (INIS)
Mokler, P.H.; Hoffmann, D.H.H.; Schoenfeldt, W.A.; Maor, D.
1984-01-01
Beams of highly ionized, very heavy atoms at moderate velocities have been produced at the UNILAC using the acceleration-stripping-deceleration method. The available ion species range from Kr 33+ to U 66+ in the energy region between 2 and 5 MeV/u. A survey on first experiments at GSI using these moderate velocity, few electron, heavy ion beams is given. The effectiveness of the method is demonstrated for Xesup(q+)-Xe collision experiments with 41 <= q <= 45. Results on vacancy transfer between inner quasimolecular levels for close collisions, and on distant collision electron capture are reported. (orig.)
Safarzade, Zohre; Akbarabadi, Farideh Shojaei; Fathi, Reza; Brunger, Michael J.; Bolorizadeh, Mohammad A.
2018-05-01
A fully quantum mechanical four-body treatment of charge transfer collisions between energetic protons and atomic helium is developed here. The Pauli exclusion principle is applied to both the wave function of the initial and final states as well as the operators involved in the interaction. Prior to the collision, the helium atom is assumed as a two-body system composed of the nucleus, He2+, and an electron cloud composed of two electrons. Nonetheless, four particles are assumed in the final state. As the double interactions contribute extensively in single charge transfer collisions, the Faddeev-Lovelace-Watson scattering formalism describes it best physically. The treatment of the charge transfer cross section, under this quasi-four-body treatment within the FWL formalism, showed that other mechanisms leading to an effect similar to the Thomas one occur at the same scattering angle. Here, we study the two-body interactions which are not classically described but which lead to an effect similar to the Thomas mechanism and finally we calculate the total singlet and triplet amplitudes as well as the angular distributions of the charge transfer cross sections. As the incoming projectiles are assumed to be plane waves, the present results are calculated for high energies; specifically a projectile energy of 7.42 MeV was assumed as this is where experimental results are available in the literature for comparison. Finally, when possible we compare the present results with the other available theoretical data.
Radiative electron capture studied in relativistic heavy-ion atom collisions
International Nuclear Information System (INIS)
Stoehlker, T.; Kozhuharov, C.; Mokler, P.H.; Warczak, A.; Bosch, F.; Geissel, H.; Moshammer, R.; Scheidenberger, C.; Eichler, J.; Shirai, T.; Stachura, Z.; Rymuza, P.
1994-08-01
The process of Radiative Electron Capture (REC) in relativistic collisions of high-Z ions with low-Z gaseous and solid targets is studied experimentally and theoretically. The observed X-ray spectra are analysed with respect to photon angular distributions as well as to total K-REC cross sections. The experimental results for angle-differential cross sections are well-reproduced by exact relativistic calculations which yield significant deviations from standard sin 2 θ distributions. Total cross sections for K-REC are shown to follow a simple scaling rule obtained from exact relativistic calculations as well as from a non-relativistic dipole approximation. The agreement between these different theoretical approaches must be regarded as fortuitous, but it lends support to the use of the non-relativistic approach for practical purposes. (orig.)
Radiative electron capture studied in relativistic heavy-ion--atom collisions
International Nuclear Information System (INIS)
Stoehlker, T.; Kozhuharov, C.; Mokler, P.H.; Warczak, A.; Bosch, F.; Geissel, H.; Moshammer, R.; Scheidenberger, C.; Eichler, J.; Ichihara, A.; Shirai, T.; Stachura, Z.; Rymuza, P.
1995-01-01
The process of radiative electron capture (REC) in relativistic collisions of high-Z ions with low-Z gaseous and solid targets is studied experimentally and theoretically. The observed x-ray spectra are analyzed with respect to photon angular distributions as well as to total K-REC cross sections. The experimental results for angle-differential cross sections are well reproduced by exact relativistic calculations which yield significant deviations from standard sin 2 θ distributions. Total cross sections for K-REC are shown to follow a simple scaling rule obtained from exact relativistic calculations as well as from a nonrelativistic dipole approximation. The agreement between these different theoretical approaches must be regarded as fortuitous, but it lends support to the use of the nonrelativistic approach for practical purposes
Directory of Open Access Journals (Sweden)
B. Zygelman
2002-03-01
Full Text Available A survey of theoretical studies of charge transfer involving collisions of multiply-charged ions with atomic neutrals (H and He is presented. The calculations utilized the quantum-mechanical molecular-orbital close-coupling (MOCC approach where the requisite potential curves and coupling matrix elements have been obtained with the spin-coupled valence bond (SCVB method. Comparison is made among various collision partners, for equicharged systems, where it is illustrated that even for total charge transfer cross sections, scaling-laws do not exist for low-energy collisions (i.e. < 1 keV/amu. While various empirical scaling-laws are well known in the intermediateand high-energy regimes, the multi-electron configurations of the projectile ions results in a rich and varied low-energy dependence, requiring an explicit calculation for each collision-partner pair. Future charge transfer problems to be addressed with the combined SCVB-MOCC approach are briefly discussed.
International Nuclear Information System (INIS)
Havener, Charles C.
2001-01-01
At ORNL Multicharged Ion Research Facility (MIRF), charge exchange (CX) cross sections have been measured for multicharged ions (MCI) on neutral atoms and molecules. The ORNL ion-atom merged-beam apparatus was used to measure single electron capture by MCI from H at eV/amu energies. A gas cell was used to measure single and double electron capture by MCI from a variety of molecular targets at keV collision energies. The merged-beams experiment has been successful in providing benchmark total electron capture measurements for several collision systems with a variety of multicharged ions on H or D
Stöhlker, T; Ma, X; Ludziejewski, T; Beyer, H F; Bosch, F; Brinzanescu, O; Dunford, R W; Eichler, J; Hagmann, S; Ichihara, A; Kozhuharov, C; Krämer, A; Liesen, D; Mokler, P H; Stachura, Z; Swiat, P; Warczak, A
2001-02-05
Radiative electron capture, the time-reversed photoionization process occurring in ion-atom collisions, provides presently the only access to photoionization studies for very highly charged ions. By applying the deceleration mode of the ESR storage ring, we studied this process in low-energy collisions of bare uranium ions with low- Z target atoms. This technique allows us to extend the current information about photoionization to much lower energies than those accessible for neutral heavy elements in the direct reaction channel. The results prove that for high- Z systems, higher-order multipole contributions and magnetic corrections persist even at energies close to the threshold.
International Nuclear Information System (INIS)
Smirnov, Yu.M.
2006-01-01
The dissociative excitation of the lead atom in e-PbI 2 collisions has been studied experimentally. 27 excitation cross-sections are measured at an exciting-electron energy of 100 eV. Nine optical excitation functions are recorded at the electron energy varying in the 0-100 eV range. The most possible reaction channels at low electron energies along with the relation of the dissociative-excitation cross-sections of the lead atom both in e-PbI 2 and e-PbCl 2 collisions are discussed. (authors)
A theoretical perspective of the nature of hydrogen-bond types - the atoms in molecules approach
Czech Academy of Sciences Publication Activity Database
Pandiyan, B. V.; Kolandaivel, P.; Deepa, Palanisamy
2014-01-01
Roč. 112, č. 12 (2014), s. 1609-1623 ISSN 0026-8976 Institutional support: RVO:61388963 Keywords : hydrogen bond * proton affinity * deprotanation enthalpy * atoms in molecules * chemical shift Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.720, year: 2014
Semiclassical study of the collision of a highly excited Rydberg atom with the molecules HF and HCl
International Nuclear Information System (INIS)
Kimura, M.; Lane, N.F.
1990-01-01
The semiclassical impact-parameter method is applied to the processes of state changing and energy transfer in the collision of a highly excited Rydberg atom (n≥20) with the polar molecules HF and HCl. The relative motion of the molecule and atomic nucleus is taken to be rectilinear; the electron-molecule and ion core-molecule interactions are represented by cutoff dipole forms. Cross sections for transitions involving quantum numbers n and l of the atom and rotational quantum number j of the molecule are obtained for a range of collision energies and initial atomic and molecular states. Comparisons are made with the results of earlier classical studies and with the quantum-mechanical impulse approximation. Collision rates are calculated and compared with experimental values for l mixing and n and j changing. The agreement between experiment and theory is shown to be satisfactory, within the uncertainties of both the measurements and the theory. Cases of agreement and disagreement between various theories are examined. One finding of the present work is that the quantum-mechanical impulse approximation appears to significantly overestimate the values of various state-changing cross sections when the internal energy defect is small. The validity of the impulse approximation for collisions of Rydberg atoms with polar molecules is discussed
Atomic holography with electrons and x-rays: Theoretical and experimental studies
International Nuclear Information System (INIS)
Len, P.M.
1997-06-01
Gabor first proposed holography in 1948 as a means to experimentally record the amplitude and phase of scattered wavefronts, relative to a direct unscattered wave, and to use such a open-quotes hologramclose quotes to directly image atomic structure. But imaging at atomic resolution has not yet been possible in the way he proposed. Much more recently, Szoeke in 1986 noted that photoexcited atoms can emit photoelectron of fluorescent x-ray wavefronts that are scattered by neighboring atoms, thus yielding the direct and scattered wavefronts as detected in the far field that can then be interpreted as holographic in nature. By now, several algorithms for directly reconstructing three-dimensional atomic images from electron holograms have been proposed (e.g. by Barton) and successfully tested against experiment and theory. Very recently, Tegze and Faigel, and Grog et al. have recorded experimental x-ray fluorescence holograms, and these are found to yield atomic images that are more free of the kinds of aberrations caused by the non-ideal emission or scattering of electrons. The basic principles of these holographic atomic imaging methods are reviewed, including illustrative applications of the reconstruction algorithms to both theoretical and experimental electron and x-ray holograms. The author also discusses the prospects and limitations of these newly emerging atomic structural probes
Destruction of fast H(2S) atoms in collisions with neon, krypton, xenon, and molecular hydrogen
International Nuclear Information System (INIS)
Roussel, F.; Pradel, P.; Spiess, G.
1977-01-01
Measurements are reported for the total quenching of metastable hydrogen atoms by neon, krypton, xenon, and molecular hydrogen, in the energy range 0.052--3 keV. The cross sections are found to be on the order of 5 x 10 -15 cm 2 at the lowest energies, and decrease to approximately 2 x 10 -15 cm 2 at the highest energies. The data at low energy are analyzed using a simple theoretical model
Directory of Open Access Journals (Sweden)
Ali Hussein Ni'ma
2017-03-01
Full Text Available In this study, two important ionospheric factors have been calculated, the collision frequency of electron and Deby length for a height range from 80 Km to a height approaching the maximum height of the F2 region of the ionosphere above the Earth's surface. Both above factors have been calculated for two different levels of solar activity and for two seasons (winter and summer. Also, six months were adopted for every level of solar activity and season. The estimation of collision frequency of electron is depends on the contribution of neutral constituents and ions. Three neutral atmospheric gases have been adopted to calculate the collision frequency, Molecular and atomic oxygen O2 and O respectively and molecular nitrogen N2, as well as the singly charged ions were taken into account in calculation.
Energy Technology Data Exchange (ETDEWEB)
Amusia, Miron [Hebrew Univ., Jerusalem (Israel). Racah Inst. of Physics; Ioffe Physico-Technical Inst., St. Petersburg (Russian Federation); Chernysheva, Larissa [Ioffe Physico-Technical Inst., St. Petersburg (Russian Federation); Yarzhemsky, Victor [Kurnakov Institute of General and Inorganic Chemistry, Moscow (Russian Federation)
2012-07-01
The aim of this book is to present highly accurate and extensive theoretical Atomic data and to give a survey of selected calculational methods for atomic physics, used to obtain these data. The book presents the results of calculations of cross sections and probabilities of a broad variety of atomic processes with participation of photons and electrons, namely on photoabsorption, electron scattering and accompanying effects. Included are data for photoabsorption and electron scattering cross-sections and probabilities of vacancy decay formed for a large number of atoms and ions. Attention is also given to photoionization and vacancy decay in endohedrals and to positron-atom scattering. The book is richly illustrated. The methods used are one-electron Hartree-Fock and the technique of Feynman diagrams that permits to include many-electron correlations. This is done in the frames of the Random Phase approximation with exchange and the many-body perturbation theory. Newly obtained and previously collected atomic data are presented. The atomic data are useful for investigating the electronic structure and physical processes in solids and liquids, molecules and clusters, astronomical objects, solar and planet atmospheres and atomic nucleus. Deep understanding of chemical reactions and processes is reached by deep and accurate knowledge of atomic structure and processes with participation of atoms. This book is useful for theorists performing research in different domains of contemporary physics, chemistry and biology, technologists working on production of new materials and for experimentalists performing research in the field of photon and electron interaction with atoms, molecules, solid bodies and liquids.
NATO Advanced Study Institute on Topics in Atomic and Nuclear Collisions
Rémaud, B; Zoran, V
1994-01-01
The ASI 'Topics in Atomic and Nuclear Collisions' was organized in Predeal from August 31 to September 11. It brought together people with a broad interest in Atomic and Nuclear Physics from several research institutes and universities in Ro mania and 16 other countries. The school continues a tradition that started on a small scale back in 1968, fo cussing mainly on current problems in nuclear physics. Though the organizing of this edition started very late and in very uncertain economic and financial conditions, it turned out to be the largest meeting of this type ever organized in Romania, both in topics and participation. There were many applicants for participation and grants, considerably more than could be handled. The selection made by the local organizing committee was based on the following criteria: a proper balance of atomic and nuclear physicists, a broad representation of people from Research Institutes and Universities, a balanced par ticipat!on with respect to age, sex, nationali...
Monte Carlo event generators in atomic collisions: A new tool to tackle the few-body dynamics
Ciappina, M. F.; Kirchner, T.; Schulz, M.
2010-04-01
We present a set of routines to produce theoretical event files, for both single and double ionization of atoms by ion impact, based on a Monte Carlo event generator (MCEG) scheme. Such event files are the theoretical counterpart of the data obtained from a kinematically complete experiment; i.e. they contain the momentum components of all collision fragments for a large number of ionization events. Among the advantages of working with theoretical event files is the possibility to incorporate the conditions present in a real experiment, such as the uncertainties in the measured quantities. Additionally, by manipulating them it is possible to generate any type of cross sections, specially those that are usually too complicated to compute with conventional methods due to a lack of symmetry. Consequently, the numerical effort of such calculations is dramatically reduced. We show examples for both single and double ionization, with special emphasis on a new data analysis tool, called four-body Dalitz plots, developed very recently. Program summaryProgram title: MCEG Catalogue identifier: AEFV_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFV_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 2695 No. of bytes in distributed program, including test data, etc.: 18 501 Distribution format: tar.gz Programming language: FORTRAN 77 with parallelization directives using scripting Computer: Single machines using Linux and Linux servers/clusters (with cores with any clock speed, cache memory and bits in a word) Operating system: Linux (any version and flavor) and FORTRAN 77 compilers Has the code been vectorised or parallelized?: Yes RAM: 64-128 kBytes (the codes are very cpu intensive) Classification: 2.6 Nature of problem: The code deals with single and double
Energy Technology Data Exchange (ETDEWEB)
Gusarevich, E. S., E-mail: gusarevich@gmail.com [Lomonosov Nothern (Arctic) Federal University (Russian Federation)
2017-02-15
The energy losses of fast structural ions in collisions with atoms have been considered in the eikonal approximation. The structural ions are ions consisting of a nucleus and a certain number of electrons bound to it. The effect of nuclear charge Z of the ion on its effective deceleration κ{sup (p)} (energy losses associated with excitation of only intrinsic ion shells) has been analyzed. It is shown that the allowance for the interaction of an atom with the ion nucleus for Z{sub a}Z/v > 1, where Z{sub a} is the charge of the atomic nucleus and v is the velocity of collisions in atomic units, considerably affects the value of κ{sup (p)}, which generally necessitates taking into account nonperturbatively the effect of both charges Z{sub a} and Z on κ{sup (p)}.
International Nuclear Information System (INIS)
Bernstein, E.M.; Tanis, J.A.
1989-04-01
This report summarizes the progress and accomplishments in accelerator atomic physics research supported by DOE grant FG02-87ER13778 from March 15, 1988 through atomic interactions in collisions of highly charged projectiles with neutral targets. Processes involving excitation, ionization, and charge transfer are investigated using coincidence techniques to isolate and identify specific interaction mechanisms. New measurements were conducted using accelerators at the Lawrence Berkeley Laboratory, Argonne National Laboratory, and Western Michigan University. The principal new results are summarized
Lyashchenko, K. N.; Andreev, O. Yu; Voitkiv, A. B.
2018-03-01
We consider electron loss from a hydrogen-like highly charged ion (HCI) in relativistic collisions with hydrogen and helium in the range of impact velocities v min ≤ v ≤ v max (v min and v max correspond to the threshold energy ε th for electron loss in collisions with a free electron and to ≈5 ε th, respectively) where any reliable data for loss cross sections are absent. In this range, where the loss process is characterized by large momentum transfers, we express it in terms of electron loss in collisions with equivelocity protons and electrons and explore by performing a detailed comparative study of these subprocesses. Our results, in particular, show that: (i) compared to equivelocity electrons protons are more effective in inducing electron loss, (ii) the relative effectiveness of electron projectiles grows with increase in the atomic number of a HCI, (iii) collisions with protons and electrons lead to a qualitatively different population of the final-state-electron momentum space and even when the total loss cross sections in these collisions become already equal the spectra of the outgoing electrons still remain quite different in almost the entire volume of the final-state-electron momentum space, (iv) in collisions with hydrogen and helium the contributions to the loss process from the interactions with the nucleus and the electron(s) of the atom could be rather well separated in a substantial part of the final-state-electron momentum space.
International Nuclear Information System (INIS)
Ho, T.S.; Lieber, M.; Chan, F.T.
1981-01-01
We have employed the eikonal method to calculate the cross section for the capture of an electron into an arbitrary nl subshell in collisions between hydrogen atoms and fast projectiles. the projectiles were protons, C 6+ , O 8+ , and Fe 24+ . The energy ranges considered were 20--100 keV in the proton case, and 40--200 keV per nucleon in the other cases. These projectiles were selected because of their importance in fusion plasmas. For the highly charged case of Fe 24+ we found that our formulas, while exact, involved a high degree of cancellation and produced unreliable numerical results, so that a numerical integration of the penultimate formula was substituted. In the proton case agreement with recent experimental data is excellent
Description of ionization in the molecular approach to atomic collisions. II
International Nuclear Information System (INIS)
Errea, L.F.; Mendez, L.; Riera, A.; Sevila, I.; Harel, C.; Jouin, H.; Pons, B.
2002-01-01
We complement a previous article [Harel et al., Phys. Rev. A 55, 287 (1997)] that studied the characteristics of the description of ionization by the molecular approach to atomic collisions, by comparing the wave functions with accurate counterparts. We show how the failure of the basis to describe the phase of the ionizing wave function results in a trapping of the corresponding population in some molecular channels. The time evolution of the molecular wave function then departs from the exact one and the ionization and capture mechanisms appear as interlocked. We thus elucidate the question of the 'natural' boundary of the molecular approach and draw further consequences as to the choice of pseudostates and the use of translation factors
Atoms, molecules and optical physics 2. Molecules and photons - Spectroscopy and collisions
Energy Technology Data Exchange (ETDEWEB)
Hertel, Ingolf V.; Schulz, Claus-Peter [Max-Born-Institut fuer Nichtlineare Optik und Kurzzeitspektroskopie im Forschungsverbund Berlin e.V. (Germany)
2015-09-01
This is the second volume of textbooks on atomic, molecular and optical physics, aiming at a comprehensive presentation of this highly productive branch of modern physics as an indispensable basis for many areas in physics and chemistry as well as in state of the art bio- and material-sciences. It primarily addresses advanced students (including PhD students), but in a number of selected subject areas the reader is lead up to the frontiers of present research. Thus even the active scientist is addressed. This volume 2 introduces lasers and quantum optics, while the main focus is on the structure of molecules and their spectroscopy, as well as on collision physics as the continuum counterpart to bound molecular states. The emphasis is always on the experiment and its interpretation, while the necessary theory is introduced from this perspective in a compact and occasionally somewhat heuristic manner, easy to follow even for beginners.
Correlated electron capture and inner-shell excitation measurements in ion-atom collisions
International Nuclear Information System (INIS)
Tanis, J.A.; Bernstein, E.M.; Clark, M.W.
1985-01-01
In an ion-atom collision projectile excitation and charge transfer (electron capture) may occur together in a single encounter. If the excitation and capture are correlated, then the process is called resonant transfer and excitation (RTE); if they are uncorrelated, then the process is termed nonresonant transfer and excitation (NTE). Experimental work to date has shown the existence of RTE and provided strong evidence for NTE. Results presented here provide information on the relative magnitudes of RTE and NTE, the charge state dependence of RTE, the effect of the target momentum distribution on RTE, the magnitude of L-shell RTE compared to K-shell RTE, and the target Z dependences of RTE and NTE. 15 refs., 5 figs
Time ordering of two-step processes in energetic ion-atom collisions: Basic formalism
International Nuclear Information System (INIS)
Stolterfoht, N.
1993-01-01
The semiclassical approximation is applied in second order to describe time ordering of two-step processes in energetic ion-atom collisions. Emphasis is given to the conditions for interferences between first- and second-order terms. In systems with two active electrons, time ordering gives rise to a pair of associated paths involving a second-order process and its time-inverted process. Combining these paths within the independent-particle frozen orbital model, time ordering is lost. It is shown that the loss of time ordering modifies the second-order amplitude so that its ability to interfere with the first-order amplitude is essentially reduced. Time ordering and the capability for interference is regained, as one path is blocked by means of the Pauli exclusion principle. The time-ordering formalism is prepared for papers dealing with collision experiments of single excitation [Stolterfoht et al., following paper, Phys. Rev. A 48, 2986 (1993)] and double excitation [Stolterfoht et al. (unpublished)
Charge transfer processes in collisions of Si{sup 4+} ions with He atoms at intermediate energies
Energy Technology Data Exchange (ETDEWEB)
Suzuki, R. [Hitotsubashi Univ., Tokyo (Japan). Computer Center; Watanabe, A. [Dept. of Information Sciences, Ochanomizu Univ., Tokyo (Japan); Sato, H. [Graduate School of Humanities and Sciences, Ochanomizu Univ., Tokyo (Japan); Gu, J.P.; Hirsch, G.; Buenker, R.J. [Wuppertal Univ. (Gesamthochschule) (Germany). Lehrgebiet Theoretische Chemie; Kimura, M. [Graduate School of Science and Engineering, Yamaguchi Univ., Ube (Japan); Stancil, P.C. [Georgia Univ., Athens, GA (United States). Dept. of Physics
2001-07-01
Charge transfer in collisions of Si{sup 4+} ions with He atoms below 100 keV/u is studied by using a molecular orbital representation within both the semiclassical and quantal representations. Single transfer reaction Si{sup 4+} + He {yields} Si{sup 3+} + He{sup +} has been studied by a number of theoretical investigations. In addition to the reaction (1), the first semiclassical MOCC calculations are performed for the double transfer channel Si{sup 4+} + He {yields} Si{sup 2+} + He{sup 2+}. Nine molecular states that connect both with single and double electron transfer processes are considered in the present model. Electronic states and corresponding couplings are determined by the multireference single- and double- excitation configuration interaction method. The present cross sections tie well with the earlier calculations of Stancil et al., (1997) at lower energies, but show a rather different magnitude from those of Bacchus-Montabonel and Ceyzeriat, (1998). The present rate constant is found to be significantly different from the experimental finding of Fang and Kwong, (1996) at 4,600 K, and hence does not support the experiment. (orig.)
Magneto optical trap recoil ion momentum spectroscopy: application to ion-atom collisions
International Nuclear Information System (INIS)
Blieck, J.
2008-10-01
87 Rb atoms have been cooled, trapped and prepared as targets for collision studies with 2 and 5 keV Na + projectiles. The physics studied deals with charge exchange processes. The active electron, which is generally the most peripheral electron of the atomic target, is transferred from the target onto the ionic projectile. The ionized target is called recoil ion. The technique used to study this physics is the MOTRIMS (Magneto Optical Trap Recoil Ion Momentum Spectroscopy) technique, which combines a magneto optical trap and a recoil ion momentum spectrometer. The spectrometer is used for the measurement of the recoil ions momentum, which gives access to all the information of the collision: the Q-value (which is the potential energy difference of the active electron on each particle) and the scattering angle of the projectile. The trap provides extremely cold targets to optimize the measurement of the momentum, and to release the latter from thermal motion. Through cinematically complete experiments, the MOTRIMS technique gives access to better resolutions on momentum measurements. Measurements of differential cross sections in initial and final capture states and in scattering angle have been done. Results obtained for differential cross sections in initial and final states show globally a good agreement with theory and an other experiment. Nevertheless, discrepancies with theory and this other experiment are shown for the measurements of doubly differential cross sections. These discrepancies are not understood yet. The particularity of the experimental setup designed and tested in this work, namely a low background noise, allows a great sensitivity to weak capture channels, and brings a technical and scientific gain compared with previous works. (author)
The production of collimated beams of o-Ps atoms using charge exchange in positron-gas collisions
International Nuclear Information System (INIS)
Laricchia, G.; Charlton, M.; Davies, S.A.; Beling, C.D.; Griffith, T.C.
1987-01-01
Using positron-gas collisions in a short scattering cell it is demonstrated that, at certain impact energies, approximately 4% of the scattered positrons can be detected as o-Ps atoms collimated in a 6 0 cone about the incident positron direction. (author)
Stolterfoht, N.; Cabrera-Trujillo, R.; Oehrn, Y.; Deumens, E.; Hoekstra, R.; Sabin, J. R.
2007-01-01
Probabilities and cross sections for charge transfer by He2+ impact on atomic hydrogen (H), deuterium (D), and tritium (T) at low collision energies are calculated. The results are obtained using an ab initio theory, which solves the time-dependent Schrodinger equation. For the H target, excellent
International Nuclear Information System (INIS)
Morgan, T.J.
1980-01-01
The objective of this program is to measure atomic collision cross sections and equilibrium fractions of ions and atoms in metal vapor targets. The goal is to obtain experimental information on atomic collision processes relevant to the Magnetic Fusion Energy Program. In particular, in connection with the development of double charge exchange D - ion sources, we are measuring D - formation cross sections in alkaline-earth metal vapor targets. During the period covered in this report we have measured electron transfer cross sections for 3-40 keV D + ions and D 0 atoms in collision with calcium vapor
Liu, Pengfei; Zeng, Jiaolong; Yuan, Jianmin
2018-04-01
Multiple electron processes occur widely in atoms, molecules, clusters, and condensed matters when they are interacting with energetic particles or intense laser fields. Direct multielectron processes (DMEP) are the most complicated among the general multiple electron processes and are the most difficult to describe theoretically. In this work, a unified and accurate theoretical formalism is proposed on the DMEP of atoms including the multiple auger decay and multiple ionization by an impact of a single electron or a single photon based on the atomic collision theory described by a correlated many-body Green's function. Such a practical treatment is made possible by taking consideration of the different coherence features of the atoms (matter waves) in the initial and final states. We first explain how the coherence characteristics of the ejected continuum electrons is largely destructed, by taking the electron impact direct double ionization process as an example. The direct double ionization process is completely different from the single ionization where the complete interference can be maintained. The detailed expressions are obtained for the energy correlations among the continuum electrons and energy resolved differential and integral cross sections according to the separation of knock-out (KO) and shake-off (SO) mechanisms for the electron impact direct double ionization, direct double and triple auger decay, and double and triple photoionization (TPI) processes. Extension to higher order DMEP than triple ionization is straight forward by adding contributions of the following KO and SO processes. The approach is applied to investigate the electron impact double ionization processes of C+, N+, and O+, the direct double and triple auger decay of the K-shell excited states of C+ 1s2{s}22{p}2{}2D and {}2P, and the double and TPI of lithium. Comparisons with the experimental and other theoretical investigations wherever available in the literature show that our
International Nuclear Information System (INIS)
Lohmann, Bernd; Grum-Grzhimailo, Alexei N.; Kleinpoppen, Hans
2013-01-01
Derives parameters for electrons, photons, atoms, ions, molecules calculated from theory. Delivers the quantum mechanical knowledge of atomic and molecular physics. Presents state-of-the-art experiments in atomic and molecular physics and related theoretical approaches. The main goal of this book is to elucidate what kind of experiment must be performed in order to determine the full set of independent parameters which can be extracted and calculated from theory, where electrons, photons, atoms, ions, molecules, or molecular ions may serve as the interacting constituents of matter. The feasibility of such perfect' and-or 'complete' experiments, providing the complete quantum mechanical knowledge of the process, is associated with the enormous potential of modern research techniques, both, in experiment and theory. It is even difficult to overestimate the role of theory in setting of the complete experiment, starting with the fact that an experiment can be complete only within a certain theoretical framework, and ending with the direct prescription of what, and in what conditions should be measured to make the experiment 'complete'. The language of the related theory is the language of quantum mechanical amplitudes and their relative phases. This book captures the spirit of research in the direction of the complete experiment in atomic and molecular physics, considering some of the basic quantum processes: scattering, Auger decay and photo-ionization. It includes a description of the experimental methods used to realize, step by step, the complete experiment up to the level of the amplitudes and phases. The corresponding arsenal includes, beyond determining the total cross section, the observation of angle and spin resolved quantities, photon polarization and correlation parameters, measurements applying coincidence techniques, preparing initially polarized targets, and even more sophisticated methods. The 'complete' experiment is, until today, hardly to perform
Energy Technology Data Exchange (ETDEWEB)
Lohmann, Bernd [Muenster Univ. (Germany). Inst. fuer Theoretische Physik 1; Grum-Grzhimailo, Alexei N. [Moscow State Univ. (Russian Federation). Skobeltsyn Inst. of Nuclear Physics; Kleinpoppen, Hans
2013-07-01
Derives parameters for electrons, photons, atoms, ions, molecules calculated from theory. Delivers the quantum mechanical knowledge of atomic and molecular physics. Presents state-of-the-art experiments in atomic and molecular physics and related theoretical approaches. The main goal of this book is to elucidate what kind of experiment must be performed in order to determine the full set of independent parameters which can be extracted and calculated from theory, where electrons, photons, atoms, ions, molecules, or molecular ions may serve as the interacting constituents of matter. The feasibility of such perfect' and-or 'complete' experiments, providing the complete quantum mechanical knowledge of the process, is associated with the enormous potential of modern research techniques, both, in experiment and theory. It is even difficult to overestimate the role of theory in setting of the complete experiment, starting with the fact that an experiment can be complete only within a certain theoretical framework, and ending with the direct prescription of what, and in what conditions should be measured to make the experiment 'complete'. The language of the related theory is the language of quantum mechanical amplitudes and their relative phases. This book captures the spirit of research in the direction of the complete experiment in atomic and molecular physics, considering some of the basic quantum processes: scattering, Auger decay and photo-ionization. It includes a description of the experimental methods used to realize, step by step, the complete experiment up to the level of the amplitudes and phases. The corresponding arsenal includes, beyond determining the total cross section, the observation of angle and spin resolved quantities, photon polarization and correlation parameters, measurements applying coincidence techniques, preparing initially polarized targets, and even more sophisticated methods. The 'complete' experiment is
Electron capture in collisions of S{sup 4+} with atomic hydrogen
Energy Technology Data Exchange (ETDEWEB)
Stancil, P.C. [Department of Physics and Astronomy, University of Georgia, Athens, GA (United States)]. E-mail: stancil@physast.uga.edu; Turner, A.R. [Department of Chemistry, University of Liverpool, Liverpool (United Kingdom)]. E-mail: art@liv.ac.uk; Cooper, D.L. [Department of Chemistry, University of Liverpool, Liverpool (United Kingdom)]. E-mail: dlc@liv.ac.uk; Schultz, D.R. [Physics Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States)]. E-mail: schultz@mail.phy.ornl.gov; Rakovic, M.J. [Physics Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States)]. E-mail: milun@mail.phy.ornl.gov; Fritsch, W. [Abteilung Theoretische Physik, Hahn-Meitner-Institut Berlin, Berlin (Germany)]. E-mail: fritsch@hmi.de; Zygelman, B. [Department of Physics, University of Nevada, Las Vegas, NV (United States)]. E-mail: bernard@physics.unlv.edu
2001-06-28
Charge transfer processes due to collisions of ground state S{sup 4+}(3s{sup 2} {sup 1}S) ions with atomic hydrogen are investigated for energies between 1 meV u{sup -1} and 10 MeV u{sup -1} using the quantum mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC) and continuum distorted wave methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were explored, including different momentum and radial distributions for the initial state, as well as effective charge and quantum-defect models to determine the corresponding quantum state after capture into final partially stripped S{sup 3+} excited classical states. Hydrogen target isotope effects are explored and rate coefficients for temperatures between 100 and 10{sup 6} K are also presented. (author)
Theoretical study on the photocatalytic properties of graphene oxide with single Au atom adsorption
Ju, Lin; Dai, Ying; Wei, Wei; Li, Mengmeng; Jin, Cui; Huang, Baibiao
2018-03-01
The photocatalytic properties of graphene oxide (GO) with single Au atom adsorption are studied via the first-principles calculations based on the density functional theory. The present study addresses the origin of enhancement in photocatalytic efficiency of GO derived from single Au atom depositing. Compared with the clean one, the work function of the single Au atom adsorbed GO is lowered due to the charge transfer from Au to GO, indicating enhanced surface activity. The Au atom plays as an electron trapping center and a mediating role in charge transfer from photon excited GO to target species. The photogenerated electron-hole pairs can be separated effectively. For the GO configuration with atomic Au dispersion, there are some states introduced in the band gap, which are predominantly composed of Au 6s states. Through the in-gap state, the photo-generated electron transfer from the valence band of clean GO to the conductive band more easily. In addition, the reduction of the gap in the system is also presented in the current work, which indicates that the single Au atom adsorption improves light absorption for the GO based photocatalyst. These theoretical results are valuable for the future applications of GO materials as photocatalyst for water splitting.
Haraldsdóttir, Hulda S.; Fleming, Ronan M. T.
2016-01-01
Conserved moieties are groups of atoms that remain intact in all reactions of a metabolic network. Identification of conserved moieties gives insight into the structure and function of metabolic networks and facilitates metabolic modelling. All moiety conservation relations can be represented as nonnegative integer vectors in the left null space of the stoichiometric matrix corresponding to a biochemical network. Algorithms exist to compute such vectors based only on reaction stoichiometry but their computational complexity has limited their application to relatively small metabolic networks. Moreover, the vectors returned by existing algorithms do not, in general, represent conservation of a specific moiety with a defined atomic structure. Here, we show that identification of conserved moieties requires data on reaction atom mappings in addition to stoichiometry. We present a novel method to identify conserved moieties in metabolic networks by graph theoretical analysis of their underlying atom transition networks. Our method returns the exact group of atoms belonging to each conserved moiety as well as the corresponding vector in the left null space of the stoichiometric matrix. It can be implemented as a pipeline of polynomial time algorithms. Our implementation completes in under five minutes on a metabolic network with more than 4,000 mass balanced reactions. The scalability of the method enables extension of existing applications for moiety conservation relations to genome-scale metabolic networks. We also give examples of new applications made possible by elucidating the atomic structure of conserved moieties. PMID:27870845
PREFACE: XXVIII International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC 2013)
Xiao, Guoqing; Cai, Xiaohong; Ding, Dajun; Ma, Xinwen; Zhao, Yongtao
2014-04-01
The 28th International Conference on Photonic, Electronic and Atomic Collisions (XXVIII ICPEAC) was held by the Institute of Modern Physics, Chinese Academy of Sciences (IMP) on 24-30 July, 2013 in Lanzhou, China. The 444 conference participants came from 37 countries and/or regions. Five plenary lectures, more than 80 progress reports and special reports had been arranged according to the decision of the ICPEAC International General Committee. Meanwhile, more than 650 abstracts were selected as poster presentations. Before the conference, three highly distinguished scientists, Professor Joachim Burgdöorfer, Professor Hossein Sadeghpour and Professor Yasunori Yamazaki, presented tutorial lectures with the support of the IMP Branch of Youth Innovation Promotion Association, CAS (IMP-YIPA). During the conference, Professor Jianwei Pan from University of Sciences and Technology in China presented an enlightening public lecture on quantum communication. Furthermore, 2013 IUPAP Young Scientist Prize was awarded to Dr T Jahnke from Johann Wolfgang Goethe University of Germany. The Sheldon Datz Prize for an Outstanding Young Scientist Attending ICPEAC was awarded to Dr Diogo Almeida from University of Fribourg of Switzerland. As a biannual academic conference, ICPEAC is one of the most important international conferences on atomic and molecular physics. The topic of the conference covers the recent progresses in photonic, electronic, atomic, ionic, molecular, cluster collisions with matter. With a history back to 1958, ICPEAC came to China for the very first time. IMP has been preparing the conference six years before, ever since the ICPEAC International General Committee made the decision to hold the XXVIII ICPEAC in Lanzhou. This proceedings includes the papers of the two plenary lectures, 40 progress reports, 17 special reports and 337 posters, which were reviewed and revised according to the comments of the referees. The Local Organizing Committee would like to
International Nuclear Information System (INIS)
Kimura, M.; Rice Univ., Houston, TX
1990-01-01
The two-electron capture or excitation process resulting from collisions of H + and O 6+ ions with He atoms in the energy range from 0.5 keV/amu to 5 keV/amu is studied within a molecular representation. The collision dynamics for formation of doubly excited O 4+ ions and He** atoms and their (n ell, n'ell ') populations are analyzed in conjunction with electron correlations. Autoionizing states thus formed decay through the Auger process. An experimental study of an ejected electron energy spectrum shows ample structures in addition to two characteristic peaks that are identified by atomic and molecular autoionizations. These structures are attributable to various interferences among electronic states and trajectories. We examine the dominant sources of the interferences. 12 refs., 5 figs
TDHF study of the He+ collision on atomic He targets at the 8Be ground state energy
International Nuclear Information System (INIS)
Cai, J.; Shoppa, T.D.; Langanke, K.
1997-01-01
Experimentally the 8 Be ground state resonance has been studied in He + collisions on atomic He atoms. The nuclear resonance manifests itself by satellite resonance lines corresponding to different electron configurations of the Be ion. Experimentally a large probability for the emission of one electron has been deduced. We study the atomic He + +He collision within a model in which the evolution of the electron wavefunction is treated dynamically in the TDHF scheme, and the motion of the nuclei is treated classically. In agreement with experiment we find a large probability for one electron to be emitted into the continuum during the lifetime of the 8 Be ground state resonance. (orig.). With 2 figs., 1 tab
Energy Technology Data Exchange (ETDEWEB)
Martinet, G
2004-05-01
The aim of this work is to understand the fragmentation of small neutral carbon clusters formed by high velocity atomic collision on atomic gas. In this experiment, the main way of deexcitation of neutral clusters formed by electron capture with ionic species is the fragmentation. To measure the channels of fragmentation, a new detection tool based on shape analysis of current pulse delivered by semiconductor detectors has been developed. For the first time, all branching ratios of neutral carbon clusters are measured in an unambiguous way for clusters size up to 10 atoms. The measurements have been compared to a statistical model in microcanonical ensemble (Microcanonical Metropolis Monte Carlo). In this model, various structural properties of carbon clusters are required. These data have been calculated with Density Functional Theory (DFT-B3LYP) to find the geometries of the clusters and then with Coupled Clusters (CCSD(T)) formalism to obtain dissociation energies and other quantities needed to compute fragmentation calculations. The experimental branching ratios have been compared to the fragmentation model which has allowed to find an energy distribution deposited in the collision. Finally, specific cluster effect has been found namely a large population of excited states. This behaviour is completely different of the atomic carbon case for which the electron capture in the ground states predominates. (author)
International Nuclear Information System (INIS)
Shen Jing
1998-01-01
Collision between μ + and the μ - beams in the crystal are forbidden due to the two beams having different ''lanes'' in a channel. A laser pulse of ps-fs shocks lattice kernel vibration and dilates lattice electron distribution. It deforms the Lindhard's potential which is then expressed in a quantized form as the Huang-Zhu's potential[1]. The dynamic lanes can be made to overlap in a channel to allow collision without ductile fracture. This raises a new technology of sub-atomic information and control, which has been raised by T. D. Lee
Atomic data on inelastic processes in low-energy manganese-hydrogen collisions
Belyaev, Andrey K.; Voronov, Yaroslav V.
2017-10-01
Aims: The aim of this paper is to calculate cross sections and rate coefficients for inelastic processes in low-energy Mn + H and Mn+ + H- collisions, especially, for processes with high and moderate rate coefficients. These processes are required for non-local thermodynamic equilibrium (non-LTE) modeling of manganese spectra in cool stellar atmospheres, and in particular, for metal-poor stars. Methods: The calculations of the cross sections and the rate coefficients were performed by means of the quantum model approach within the framework of the Born-Oppenheimer formalism, that is, the asymptotic semi-empirical method for the electronic MnH molecular structure calculation followed by the nonadiabatic nuclear dynamical calculation by means of the multichannel analytic formulas. Results: The cross sections and the rate coefficients for low-energy inelastic processes in manganese-hydrogen collisions are calculated for all transitions between 21 low-lying covalent states and one ionic state. We show that the highest values of the cross sections and the rate coefficients correspond to the mutual neutralization processes into the final atomic states Mn(3d54s(7S)5s e 6S), Mn(3d54s(7S)5p y 8P°), Mn(3d54s(7S)5s e 8S), Mn(3d54s(7S)4d e 8D) [the first group], the processes with the rate coefficients (at temperature T = 6000 K) of the values 4.38 × 10-8, 2.72 × 10-8, 1.98 × 10-8, and 1.59 × 10-8 cm3/ s, respectively, that is, with the rate coefficients exceeding 10-8 cm3/ s. The processes with moderate rate coefficients, that is, with values between 10-10 and 10-8 cm3/ s include many excitation, de-excitation, mutual neutralization and ion-pair formation processes. In addition to other processes involving the atomic states from the first group, the processes from the second group include those involving the following atomic states: Mn(3d5(6S)4s4p (1P°) y 6P°), Mn(3d54s(7S)4d e 6D), Mn(3d54s(7S)5p w 6P°), Mn(3d5(4P)4s4p (3P°) y 6D°), Mn(3d5(4G)4s4p (3P°) y 6F
Energy Technology Data Exchange (ETDEWEB)
Mihajlov, A A [Institute of Physics, PO Box 57, 11001 Belgrade (Serbia and Montenegro); Ignjatovic, Lj M [Institute of Physics, PO Box 57, 11001 Belgrade (Serbia and Montenegro); Djuric, Z [Silvaco Data Systems, Compass Point, St Ives PE27 5JL (United Kingdom); Ljepojevic, N N [Silvaco Data Systems, Compass Point, St Ives PE27 5JL (United Kingdom)
2004-11-28
This paper presents the results of semi-classical calculations of rate coefficients of (n - n')-mixing processes in collisions of Rydberg atoms H*(n) with H(1s) atoms. These processes have been modelled by the mechanism of the resonant energy exchange within the electron component of the H*(n) + H collisional system. The calculations of the rate coefficients, based on this model, were performed for the series of principal quantum numbers, n and n', and atomic, T{sub a}, and electronic, T{sub e}, temperatures. It was shown that these processes can be of significant influence on the populations of Rydberg atoms in weakly ionized plasmas (ionization degree {approx}<10{sup -4}), and therefore have to be included in appropriate models of such plasmas.
International Nuclear Information System (INIS)
Mihajlov, A A; Ignjatovic, Lj M; Djuric, Z; Ljepojevic, N N
2004-01-01
This paper presents the results of semi-classical calculations of rate coefficients of (n - n')-mixing processes in collisions of Rydberg atoms H*(n) with H(1s) atoms. These processes have been modelled by the mechanism of the resonant energy exchange within the electron component of the H*(n) + H collisional system. The calculations of the rate coefficients, based on this model, were performed for the series of principal quantum numbers, n and n', and atomic, T a , and electronic, T e , temperatures. It was shown that these processes can be of significant influence on the populations of Rydberg atoms in weakly ionized plasmas (ionization degree ∼ -4 ), and therefore have to be included in appropriate models of such plasmas
A theoretical-electron-density databank using a model of real and virtual spherical atoms.
Nassour, Ayoub; Domagala, Slawomir; Guillot, Benoit; Leduc, Theo; Lecomte, Claude; Jelsch, Christian
2017-08-01
A database describing the electron density of common chemical groups using combinations of real and virtual spherical atoms is proposed, as an alternative to the multipolar atom modelling of the molecular charge density. Theoretical structure factors were computed from periodic density functional theory calculations on 38 crystal structures of small molecules and the charge density was subsequently refined using a density model based on real spherical atoms and additional dummy charges on the covalent bonds and on electron lone-pair sites. The electron-density parameters of real and dummy atoms present in a similar chemical environment were averaged on all the molecules studied to build a database of transferable spherical atoms. Compared with the now-popular databases of transferable multipolar parameters, the spherical charge modelling needs fewer parameters to describe the molecular electron density and can be more easily incorporated in molecular modelling software for the computation of electrostatic properties. The construction method of the database is described. In order to analyse to what extent this modelling method can be used to derive meaningful molecular properties, it has been applied to the urea molecule and to biotin/streptavidin, a protein/ligand complex.
International Nuclear Information System (INIS)
Deutchman, P.A.; Norbury, J.W.; Townsend, L.W.
1986-01-01
The analysis results from a microscopic calculation for pion production in heavy-ion collisions at intermediate to relativistic energies both above and below pion threshold are presented and the most important terms that contribute to the pion spectrum are determined. The energy dependence and the effects on the pion spectrum due to the various parameters in the theory are examined. The model is applied to coherent pion-production in 16 O + 12 C collisions. (orig.)
International Nuclear Information System (INIS)
Bayfield, J.E.
1976-07-01
Results of experiments completed with Yale equipment coupled to the Oak Ridge Test Bench and Tandem Accelerator facilities are presented. Electron transfer cross sections have been measured at keV collision energies for B, C, N and O ions colliding with H, H 2 , Ar and He gas targets. The ion charge states studied range from +2 through +5. Also reported are cross sections for Si and Fe ions on H, H 2 and Ar at energies between 1.5 and 14 MeV, with charge states varying between +5 and +13. Also measured were the cross sections for H + collisions with H, H 2 and Ar for energies between 0.8 and 2.5 MeV. At keV energies the cross sections for highly charged B, C, N and O ions are found to be 1 x 10 -14 cm 2 . The cross sections for 4 MeV Fe ions scale roughly with the square of the ion charge, and have values as high as 0.5 x 10 -14 cm 2 for Fe 10+ + H collisions. A strong energy dependence is found for Fe ion collisions between 4 and 14 MeV. Previous results for MeV H + + Ar collisions are nicely reproduced, while our first results for the fundamental MeV H + - H collision problem are cross sections higher than many theoretical predictions
Collisions of halogen (2P) and rare gas (1S) atoms
International Nuclear Information System (INIS)
Becker, C.H.
1978-12-01
Differential cross sections I (THETA) at several collision energies measured in crossed molecular beam experiments are reported for several combinations of halogen atoms ( 2 P) scattered off rare gas-rare gas atoms ( 1 S 0 ), namely, F + Ne, F + Ar, F + Kr, F + Xe, C1 + Xe. The scattering is described by an elastic model appropriate to Hund's case c coupling. With the use of this model, the X 1/2, I 3/2, and II 1/2 interaction potential energy curves are derived by fitting calculated differential cross sections, based on analytic representations of the potentials, to the data. The F - Xe X 1/2 potential shows a significant bonding qualitatively different than for the other F-rare gases. The I 3/2 and II 1/2 potentials closely resemble the van der Waals interactions of the one electron richer ground state rare gas-rare gas systems. Coupled-channel scattering calculations are carried out for F + Ar, F + Xe, and C1 + Xe using the realistic potential curves derived earlier. The results justify the use of the elastic model, and give additional information on intramultiplet and intermultiplet transitions. The transitions are found to be governed by the crossing of the two Ω = 1/2 potentials in the complex plane. The measured I (theta) and I (THETA) derived from the coupled-channel computations show small oscillations or perturbations (Stueckelberg oscillations) though quantitative agreement is not obtained.The nature of the anomalous F - Xe X 1/2 potential is discussed as is the approximation of a constant spin orbit coupling over the experimentally accessible range of internuclear distances for these open shell molecules. 55 references
International Nuclear Information System (INIS)
Chung, Hyun-Kyung; Bartschat, Klaus; Tennyson, Jonathan; Schultz, David R.
2014-10-01
This report summarizes the proceedings of the Joint IAEA-ITAMP Technical Meeting on “Uncertainty Assessment for Theoretical Atomic and Molecular Scattering Data” on 7-9 July 2014. Twenty-five participants from ten Member States and one from the IAEA attended the three-day meeting held at the Harvard-Smithsonian Center for Astrophysics in Cambridge, Massachusetts, USA and hosted by the Institute of Theoretical Atomic, Molecular and Optical Physics (ITAMP). The report includes discussions on the issues of uncertainty estimates for theoretical atomic and molecular scattering data. The abstracts of presentations presented in the meeting are attached in the Appendix. (author)
International Nuclear Information System (INIS)
Pustovit, A.N.
2005-01-01
A new approach is proposed for description of the energy losses of mean-energy atomic particles during their interactions with atomic particles of solids. It is shown that all these interactions are inelastic ones and are determined by different scattering zones with different laws of energy loss dependences [ru
International Nuclear Information System (INIS)
Weber, Reinhart
2012-01-01
This textbook mediates in three volumes the matter of the first four semester of the bachelor respectively master course. The otherwise generally usual separate presentation of experimental and theoretical physics is canceled in favor of an integrated treatment. The advances are obvious: The studying is enabled to learn to understand knowledge gotten by means of experiments also immediately in a quantitative formulation. The can equally be used as textbook to an integrated course and to separated courses. Because the relevant theoretical concepts are developed without gap a special book of theoretical physics is unnecessary. Numerous exercise problems deepen the understanding and help directly in the preparation for examinations. The illustrations are mostly presented in two colours. Volume III treats atomic and molecular physics. After a semiclassical presentation the quantum-mechanical foundations are developed and in the following chapters applied to atomic systems and processes. An introduction in the foundations and application of the laser. The closure is formed by a chapter about entangled systems.
Pion correlations as a function of atomic mass in heavy ion collisions
International Nuclear Information System (INIS)
Chacon, A.D.
1989-01-01
The method of two pion interferometry was used to obtain source-size and lifetime parameters for the pions produced in heavy ion collisions. The systems used were 1.70 · A GeV 56 Fe + Fe, 1.82 · A GeV 40 Ar + KCl and 1.54 · A GeV 93 Nb + Nb, allowing for a search for dependences on the atomic number. Two acceptances (centered, in the lab., at ∼ 0 degrees and 45 degrees) were used for each system, allowing a search for dependences on the viewing angle. The correlation functions were calculated by comparing the data samples to background (or reference) samples made using the method of event mixing, where pions from different events are combined to produce a data sample in which the Bose-Einstein correlation effect is absent. The effect of the correlation function on the background samples is calculated, and a method for weighting the events to remove the residual correlation effect is presented. The effect of the spectrometer design on the measured correlation functions is discussed, as are methods for correcting for these effects during the data analysis. 58 refs., 39 figs., 18 tabs
Near-threshold effects in ionization of atoms (post collision interaction)
International Nuclear Information System (INIS)
Amus'ya, M.Ya.; Kuchiev, M.Yu.; Shejnerman, S.A.
1979-01-01
The special class of phenomena of the post collision interaction PCI taking place in case of inelastic electron scattering on atoms, when the incident electron energy is close to the excitement threshold of an autoionization state, is studied. The quantitative quantum-mechanical theory of the PCI is developed. The theory is based only on the supposition that the change of the field in which a slow electron moves takes place in such a small time interval that the interaction of a fast and slow electron can be neglected. The possibility of carrying out calculations giving the direct comparison with the experimental results are shown in the concrete examples. All possible PCI effects such as the shift of the maximum in the energy distribution of fast (or slow) electrons, the asymmetry of the contour form and its broadening, the change of the angular distribution of slow electrons, have been practically illustrated. It is shown that the interaction of a slow electron and a vacancy in the final state essentially affects the process characteristics. Taking into account PCI in the concrete process calculations made it possible to get an acceptable agreement with the available experimental data
Target continuum distorted-wave theory for collisions of fast protons with atomic hydrogen
International Nuclear Information System (INIS)
Crothers, D.S.F.; Dunseath, K.M.
1990-01-01
By considering the target continuum distorted-wave (TCDW) theory as the high-energy limit of the half-way house variational continuum distorted-wave theory, it is shown not only that there is no intermediate elastic divergence but also that the second-order amplitude based on a purely elastic intermediate state is of order υ -6 and is thus negligible. The residual inelastic TCDW theory is developed to second-order at high velocities. It is used to describe charge exchange during collisions of fast protons with atomic hydrogen. Using an on-shell peaking approximation and considering 1s-1s capture it is shown that the residual purely second-order transition amplitude comprises two terms, one real term of order υ -6 and one purely imaginary term of order υ -7 ln υ. At 5 MeV laboratory energy, it is shown that these are negligible. It is also shown that the υ -5 first-order term gives a differential cross section in very good agreement with an experiment at all angles including forward, interference minimum, Thomas maximum and large angles, particularly having folded our theory over experimental resolution. (author)
Three-body dynamical interference in electron and positron collision with positronium atom
Directory of Open Access Journals (Sweden)
E Ghanbari Adivi
2010-12-01
Full Text Available In this project, the Faddeev-Watson-Lovelace (FWL formalism is generalized to large scattering angles. The angular range includes 0-180 degrees. Using this method, the charge transfer differential cross-sections are calculated, in a second-order approximation, for collision of energetic positrons and electrons with neutral positronium atoms. In this approximation, the rearrangement amplitude contains two first-order and three second-order partial amplitudes. The first first-order term is the Born amplitude in a first-order approximation. The second one corresponds to capturing the transferred particle without perturbing the state of this particle. This term, in fact, describes a knock-on process. Since the masses of the particles and the absolute values of their charges are equal, one expects that the second-order terms be similar in magnitude. This aspect causes the instructive interference of the partial amplitudes in some angles and destructive interference in some others. However, it is predicted that these amplitudes have local maxima in direction of the recoiling of the projectile. In order to investigate this situation, the second-order partial amplitudes are calculated and their relations with the parity of the initial and final states of the scattering system are analyzed. In particular, the role of dynamical interference of these partial amplitudes in creation of the kinematical peak and the peak corresponding to the knock-on scattering in angular distribution of the differential cross sections is investigated.
International Nuclear Information System (INIS)
Mityureva, A.A.; Penkin, N.P.; Smirnov, V.V.
1989-01-01
Excitation of argon atoms by electron collisions from metastable (MS) to high-lying states of inert gases (the so-called step-by-step excitation) is investigated. Formation of MS atoms m and their further step-by-step excitation up to k level is carried out by an electron beam with energy from 1 up to 40 eV. Time distribution of forming metastable and step-by-step electron collisions is used. The method used permits to measure the functions of step-by-step excitation and the absolute values of cross sections. Absolute values of cross-sections and functions of step-by-step excitation of some lines and argon levels are obtained
Correlated charge-changing ion-atom collisions. Progress report, 16 February 1993--15 April 1994
International Nuclear Information System (INIS)
Tanis, J.A.
1994-04-01
This report summarizes the progress and accomplishments of research supported by DOE. This work involves the experimental investigation of fundamental atomic processes in collisions of few-electron, charged projectile ions with neutral gas targets or electrons. The major emphasis is the study of collision processes involving two active electrons, and particularly those in which the electron-electron interaction plays a role. New results have been obtained for studies involving (1) continuum-electron emission, (2) double ionization of helium and Li + , and (3) resonant recombination of atomic ions. Experiments were conducted using accelerators at Western Michigan University, Michigan State University, Indiana University, Lawrence Livermore Laboratory, and the Institute of Nuclear Research, Debrecen, Hungary. Brief summaries of work completed and work in progress are given
International Nuclear Information System (INIS)
Cohen, J.S.; Struensee, M.C.
1991-01-01
The improved adiabatic representation is used in calculations of elastic and isotopic-exchange cross sections for asymmetric collisions of pμ, dμ, and tμ with bare p, d, and t nuclei and with H, D, and T atoms. This formulation dissociates properly, correcting a well-known deficiency of the standard adiabatic method for muonic-atom collisions, and includes some effects at zeroth order that are normally considered nonadiabatic. The electronic screening is calculated directly and precisely within the improved adiabatic description; it is found to be about 30% smaller in magnitude than the previously used value at large internuclear distances and to deviate considerably from the asymptotic form at small distances. The reactance matrices, needed for calculations of molecular-target effects, are given in tables
A quasi-classical study of energy transfer in collisions of hyperthermal H atoms with SO2 molecules.
da Silva, Ramon S; Garrido, Juan D; Ballester, Maikel Y
2017-08-28
A deep understanding of energy transfer processes in molecular collisions is at central attention in physical chemistry. Particularly vibrational excitation of small molecules colliding with hot light atoms, via a metastable complex formation, has shown to be an efficient manner of enhancing reactivity. A quasi-classical trajectory study of translation-to-vibration energy transfer (T-V ET) in collisions of hyperthermal H( 2 S) atoms with SO 2 (X̃ 1 A ' ) molecules is presented here. For such a study, a double many-body expansion potential energy surface previously reported for HSO 2 ( 2 A) is used. This work was motivated by recent experiments by Ma et al. studying collisions of H + SO 2 at the translational energy of 59 kcal/mol [J. Ma et al., Phys. Rev. A 93, 040702 (2016)]. Calculations reproduce the experimental evidence that during majority of inelastic non-reactive collision processes, there is a metastable intermediate formation (HOSO or HSO 2 ). Nevertheless, the analysis of the trajectories shows that there are two distinct mechanisms in the T-V ET process: direct and indirect. Direct T-V processes are responsible for the high population of SO 2 with relatively low vibrational excitation energy, while indirect ones dominate the conversion from translational energy to high values of the vibrational counterpart.
Structural and Theoretical Evidence of the Depleted Proton Affinity of the N3-Atom in Acyclovir
Directory of Open Access Journals (Sweden)
Esther Vílchez-Rodríguez
2016-10-01
Full Text Available The hydronium salt (H3O2[Cu(N7–acv2(H2O2(SO42]·2H2O (1, acv = acyclovir has been synthesized and characterized by single-crystal X-ray diffraction and spectral methods. Solvated Cu(OH2 is a by-product of the synthesis. In the all-trans centrosymmetric complex anion, (a the Cu(II atom exhibits an elongated octahedral coordination; (b the metal-binding pattern of acyclovir (acv consists of a Cu–N7(acv bond plus an (aquaO–H···O6(acv interligand interaction; and (c trans-apical/distal sites are occupied by monodentate O-sulfate donor anions. Neutral acyclovir and aqua-proximal ligands occupy the basal positions, stabilizing the metal binding pattern of acv. Each hydronium(1+ ion builds three H-bonds with O–sulfate, O6(acv, and O–alcohol(acv from three neighboring complex anions. No O atoms of solvent water molecules are involved as acceptors. Theoretical calculations of molecular electrostatic potential surfaces and atomic charges also support that the O-alcohol of the N9(acv side chain is a better H-acceptor than the N3 or the O-ether atoms of acv.
Comment on "Theoretical study of the dynamics of atomic hydrogen adsorbed on graphene multilayers"
Bonfanti, Matteo; Martinazzo, Rocco
2018-03-01
It is shown that the theoretical prediction of a transient magnetization in bilayer and multilayer graphene (M. Moaied et al., Phys. Rev. B 91, 155419 (2015), 10.1103/PhysRevB.91.155419) relies on an incorrect physical scenario for adsorption, namely, one in which H atoms adsorb barrierless on graphitic substrates and form a random adsorption pattern of monomers. Rather, according to experimental evidence, H atom sticking is an activated process, and adsorption is under kinetic control, largely ruled by a preferential sticking mechanism that leads to stable, nonmagnetic dimers at all but the smallest coverages (Theory and experiments are reconciled by reconsidering the hydrogen atom adsorption energetics with the help of van der Waals-inclusive density functional calculations that properly account for the basis set superposition error. It is shown that today van der Waals-density functional theory predicts a shallow physisorption well that nicely agrees with available experimental data and suggests that the hydrogen atom adsorption barrier in graphene is 180 meV high, within ˜5 meV accuracy.
International Nuclear Information System (INIS)
Zou Xubo; Pahlke, K.; Mathis, W.
2003-01-01
We propose a scheme to implement the 1→2 universal quantum cloning machine of Buzek and Hillery [Phys. Rev. A 54, 1844 (1996)] in the context of cavity QED. The scheme requires cavity-assisted collision processes between atoms, which cross through nonresonant cavity fields in the vacuum states. The cavity fields are only virtually excited to face the decoherence problem. That's why the requirements on the cavity quality factor can be loosened
International Nuclear Information System (INIS)
Bordenave-Montesquieu, A.; Gleizes, A.; Benoit-Cattin, P.; Boudjema, M.
1980-01-01
In order to explain the large energy broadening of the lines observed in energy spectra of electrons emitted by fast particles, an accurate knowledge of the angular acceptance function of the electron energy analyser is necessary. A simple method is proposed which can give an accurate function for most atomic collisions: the various approximations are discussed. It is also shown that the analyser transmission depends on the acceptance angle. (author)
PREFACE: XXIX International Conference on Photonic, Electronic, and Atomic Collisions (ICPEAC2015)
Díaz, C.; Rabadán, I.; García, G.; Méndez, L.; Martín, F.
2015-09-01
The 29th International Conference on Photonic, Electronic and Atomic Collisions (XXIX ICPEAC) was held at the Palacio de Congresos ''El Greco'', Toledo, Spain, on 22-28 July, 2015, and was organized by the Universidad Autónoma de Madrid (UAM) and the Consejo Superior de Investigaciones Científicas (CSIC). ICPEAC is held biannually and is one of the most important international conferences on atomic and molecular physics. The topic of the conference covers the recent progresses in photonic, electronic, and atomic collisions with matter. With a history back to 1958, ICPEAC came to Spain in 2015 for the very first time. UAM and CSIC had been preparing the conference for six years, ever since the ICPEAC International General Committee made the decision to hold the XXIX ICPEAC in Toledo. The conference gathered 670 participants from 52 countries and attracted 854 contributed papers for presentation in poster sessions. Among the latter, 754 are presented in issues 2-12 of this volume of the Journal of Physics Conference Series. In addition, five plenary lectures, including the opening one by the Nobel laureate Prof. Ahmed H. Zewail and the lectures by Prof. Maciej Lewenstein, Prof. Paul Scheier, Prof. Philip H. Bucksbaum, and Prof. Stephen J. Buckman, 62 progress reports and 26 special reports were presented following the decision of the ICPEAC International General Committee. Detailed write-ups of most of the latter are presented in issue 1 of this volume, constituting a comprehensive tangible record of the meeting. On the occasion of the International Year of Light (IYL2015) and with the support of the Fundación Española para la Ciencia y la Tecnología (FECYT), the program was completed with two public lectures delivered by the Nobel laureate Prof. Serge Haroche and the Príncipe de Asturias laureate Prof. Pedro M. Echenique on, respectively, ''Fifty years of laser revolutions in physics'rquot; and ''The sublime usefulness of useless science''. Also a
Theoretical study of ghost imaging with cold atomic waves under the condition of partial coherence
International Nuclear Information System (INIS)
Chen, Jun; Liu, Yun-Xian
2014-01-01
A matter wave ghost imaging mechanism is proposed and demonstrated theoretically. This mechanism is based on the Talbot-Lau effect. Periodic gratings of matter wave density, which appear as a result of interference of atoms diffracted by pulses of an optical standing wave, are utilized to produce the reference wave and the signal wave simultaneously for the ghost imaging. An advantage of this mechanism is that during the imaging process, the beam-splitter is not needed, which highly simplifies the experimental setup and makes the ghost imaging possible in the field of matter wave
Effect of nuclear shielding in collision of positive charged helium ions with helium atoms
Ghavaminia, Hoda; Ghavaminia, Shirin
2018-03-01
Differential in angle and absolute cross sections in energy of the scattered particles are obtained for single charge exchange in ^3He^+-^4He collisions by means of the four body boundary-corrected first Born approximation (CB1-4B). The quantum-mechanical post and prior transition amplitudes are derived in terms of two-dimensional real integrals in the case of the prior form and five-dimensional quadratures for the post form. The effect of the dynamic electron correlation through the complete perturbation potential and the nuclear-screening influence of the passive electrons on the electron capture process is investigated. The results obtained in the CB1-4B method are compared with the available experimental data. For differential cross sections, the present results are in better agreement with experimental data than other theoretical data at extreme forward scattering angles. The integral cross sections are in excellent agreement with the experiment. Also, total cross sections for single electron capture, has been investigated using the classical trajectory Monte Carlo method. The present calculated results are found to be in an excellent agreement with the experimental data.
Transport of a nonneutral electron plasma due to electron collisions with neutral atoms
International Nuclear Information System (INIS)
Douglas, M.H.; O'Neil, T.M.
1978-01-01
Transport of a nonneutral electron plasma across a magnetic field is caused by electron scattering from ambient neutral atoms. A theoretical model of such transport is presented, assuming the plasma is quiescent and the scattering is elastic scattering from infinite mass scattering centers of constant momentum transfer cross section. This model is motivated by recent experiments. A reduced transport equation is obtained by expanding the Boltzmann equation for the electron distribution in inverse powers of the magnetic field. The equation together with Poisson's equation for the radial electric field, which must exist in a nonneutral column, determine the evolution of the system. When these two equations are properly scaled, they contain only a single parameter: the ratio of initial Debye length to initial column radius. For cases where this parameter is either large or small, analytical solutions, or at least partial solutions, are obtained. For intermediate values of the parameter, numerical solutions are obtained
Lohmann, Birgit; Nieuwenhuizen, Theo M; 13th International Symposium on Polarization and Correlation in Electronic and Atomic Collisions; Ionization, correlation and polarization in atomic collisions
2006-01-01
All papers were peer-reviewed. This proceedings volume contains the invited talks presented at two atomic physics symposia held jointly in Buenos Aires, Argentina from 28-30 July 2005. They represent the latest research in dynamics of collision systems involving collisions between photons, electrons, and ions and a diverse range of target species: atoms, molecules, clusters, and surfaces. There is a particular emphasis on correlation and many-body effects in excitation and ionization.
1985-01-01
Atomoic Collisions, (Berlin, to the insufficient energy resolution, to the 1983). coincidence signal can be neglected at this energy. In 2 J.P.M...DECAY RATES FOR % MULTIPLY IONIZED ATOMO . F. Lombet Farnoux Laboratoire Spectroscopic Atomique et lonique - Batiment 350 - vUniversite Paris-Sud...and atomo oeanis was constructed.The accompanied to 1-shell ionization X-ray emission was reristrated by 0 an Si(Li) semiconductor detector in the
Excitation of atoms and molecules in collisions with highly charged ions
International Nuclear Information System (INIS)
Watson, R.L.
1992-01-01
This report discusses research of multicharged nitrogen, oxygen and carbon monoxide molecular ions produced with collision with multicharged argon ions. Properties like ionization, dissociation, and excitation are investigated
Projectile X-ray emission in relativistic ion-atom collisions
Energy Technology Data Exchange (ETDEWEB)
Salem, Shadi Mohammad Ibrahim
2010-03-16
This work reports on the study of the projectile X-ray emission in relativistic ion-atom collisions. Excitation of K-shell in He-like uranium ions, electron capture into H-like uranium ions and Simultaneous ionization and excitation of initially He-like uranium ions have been studied using the experimental storage ring at GSI. For the K{sub {alpha}}{sub 1} and K{sub {alpha}}{sub 2} transitions originating from the excitation of the He-like uranium ions, no alignment was observed. In contrast, the Ly{sub {alpha}}{sub 1} radiation from the simultaneous ionization-excitation process of the He-like uranium ions shows a clear alignment. The experimental value leads to the inclusion of a magnetic term in the interaction potential. The capture process of target electrons into the highly-charged heavy ions was studied using H-like uranium ions at an incident energy of 220 MeV/u, impinging on N{sub 2} gas-target. It was shown that, the strongly aligned electrons captured in 2p{sub 3/2} level couple with the available 1s{sub 1/2} electron which shows no initial directional preference. The magnetic sub-state population of the 2p{sub 3/2} electron is redistributed according to the coupling rules to the magnetic sub-states of the relevant two-electron states. This leads to the large anisotropy in the corresponding individual ground state transitions contributing to the K{sub {alpha}}{sub 1} emission. From the K{sub {alpha}}{sub 1}/K{sub {alpha}}{sub 2} ratio, the current results show that the incoherent addition of the E1 and M2 transition components yield to an almost isotropic emission of the total K{sub {alpha}}{sub 1}. In contrast to the radiative electron capture, the experimental results for the K-shell single excitation of He-like uranium ions indicate that only the {sup 1}P{sub 1} level contributes to the K{sub {alpha}}{sub 1} transition. For this case, the anisotropy parameter {beta}{sub 20} was found to be -0.20{+-}0.03. This work also reports on the study of a two
Vogels, Sjoerd N.; Karman, Tijs; Kłos, Jacek; Besemer, Matthieu; Onvlee, Jolijn; van der Avoird, Ad; Groenenboom, Gerrit C.; van de Meerakker, Sebastiaan Y. T.
2018-02-01
Over the last 25 years, the formalism known as coupled-cluster (CC) theory has emerged as the method of choice for the ab initio calculation of intermolecular interaction potentials. The implementation known as CCSD(T) is often referred to as the gold standard in quantum chemistry. It gives excellent agreement with experimental observations for a variety of energy-transfer processes in molecular collisions, and it is used to calibrate density functional theory. Here, we present measurements of low-energy collisions between NO radicals and H2 molecules with a resolution that challenges the most sophisticated quantum chemistry calculations at the CCSD(T) level. Using hitherto-unexplored anti-seeding techniques to reduce the collision energy in a crossed-beam inelastic-scattering experiment, a resonance structure near 14 cm-1 is clearly resolved in the state-to-state integral cross-section, and a unique resonance fingerprint is observed in the corresponding differential cross-section. This resonance structure discriminates between two NO-H2 potentials calculated at the CCSD(T) level and pushes the required accuracy beyond the gold standard.
Correlated charge changing ion-atom collisions. Progress report, March 15, 1984-March 15, 1985
International Nuclear Information System (INIS)
Bernstein, E.M.; Tanis, J.A.
1985-04-01
Correlations between x-ray emission and projectile charge-changing events have been investigated for highly charged ions incident on gas targets under single collision conditions. Measurements were made for 100 to 360 MeV 20 Ca/sup 16,17,18+/ + He, 15 to 200 MeV 16 S 13+ + He, 100 to 370 MeV 20 Ca/sup 12,16,17,18,19+/ + H 2 , and 455 to 705 MeV 57 La 40+ + H 2 . Coincidences between electron capture and K x-ray emission for Ca/sup q+/ + H 2 and He, combined with previous measurements for 180 to 460 MeV 23 V/sup 19,20,21+/ + He, demonstrate the existence and substantiate the theory of resonant transfer and excitation (RTE). Additional K-shell RTE studies include theoretical calculations of the cross sections for Li-like ions with 14 less than or equal to Z less than or equal to 26 incident on He and Ne. The 57 La 40+ + H 2 measurements provide evidence for L-shell RTE. For S 13+ + He new evidence is obtained for nonresonant transfer and excitation, a two-step process in which uncorrelated electron capture and projectile excitation occur in a single encounter. Total electron capture cross sections for S 13+ + He vary by about 10 5 over the energy range investigated and are in reasonable agreement with empirical values. Other studies of electron capture and loss include measurements of the charge-state dependence for V/sup q+/ + He (q = 18 to 23) at 8.55 MeV/amu
International Nuclear Information System (INIS)
Inokuti, Mitio.
1990-01-01
The multifaceted role of theoretical physics in understanding the earliest stages of radiation action is discussed. Scientific topics chosen for the present discourse include photoabsorption, electron collisions, and ionic collisions, and electron transport theory, Connections of atomic and molecular physics with condensed-matter physics are also discussed. The present article includes some historical perspective and an outlook for the future. 114 refs., 3 figs
Energy Technology Data Exchange (ETDEWEB)
Inokuti, Mitio.
1990-01-01
The multifaceted role of theoretical physics in understanding the earliest stages of radiation action is discussed. Scientific topics chosen for the present discourse include photoabsorption, electron collisions, and ionic collisions, and electron transport theory, Connections of atomic and molecular physics with condensed-matter physics are also discussed. The present article includes some historical perspective and an outlook for the future. 114 refs., 3 figs.
International Nuclear Information System (INIS)
Lattouf, Elie
2013-01-01
The formation of the negative hydrogen ion (H - ) in collisions between a positive ion and a neutral atomic or molecular target is studied experimentally at impact energies of a few keV. The doubly-differential cross sections for H - formation are measured as a function of the kinetic energy and emission angle for the collision systems OH + + Ar and O + + H 2 O at 412 eV/a.m.u. These H - ions can be emitted at high energies (keV) in hard quasi-elastic two-body collisions involving a large momentum transfer to the H center. However, H - anions are preferentially emitted at low energy (eV) due to soft many-body (≥ 2) collisions resulting in a low momentum transfer. The formation of H - ions by electron capture follows excitation or ionization of the molecule. The molecular fragmentation dynamics is modeled to simulate the emission of H - ions. The overall good agreement between the simulation and the experiment leads to the understanding of most of the experimental observations. (author) [fr
International Nuclear Information System (INIS)
Shimamura, I.; Takayanagi, K.
1984-01-01
The study of collision processes plays an important research role in modern physics. Many significant discoveries have been made by means of collision experiments. Based on theoretical, experimental, and computational studies, this volume presents an overview detailing the basic processes of electron-molecule collisions. The editors have collected papers-written by a group of international experts-that consider a diverse range of phenomena occurring in electronmolecule collisions. The volume discusses first the basic formulation for scattering problems and then gives an outline of the physics of electron-molecule collisions. The main topics covered are rotational transitions, vibrational transitions, dissociation of molecules in slow collisions, the electron-molecule collision as a spectroscopic tool for studying molecular electronic structures, and experimental and computational techniques for determining the cross sections. These well-referenced chapters are self-contained and can be read independently or consecutively. Authoritative and up-to-date, Electron-Molecule Collisions is a useful addition to the libraries of students and researchers in the fields of atomic, molecular, and chemical physics, and physical chemistry
On the impact parameter probability distribution in atomic collisions for Monte Carlo simulations
International Nuclear Information System (INIS)
Katardjiev, I.V.; Berg, S.; Nender, C.; Miteva, V.
1992-01-01
The collision statistics of ion-solid interactions in Monte Carlo simulations is discussed. The models for structureless targets are shown to be inadequate at low energies and a model for amorphous targets based on the short range ordering in amorphous solids is presented. This model clearly shows the correlation between successive collisions due to the amorphous target structure. It is shown that the new model approximates to a certain extent the collision statistics of the MARLOWE type of programs in the ''amorphous'' mode
Multiple H3+ fragment production in single collision of fast Hn+ clusters with He atoms
International Nuclear Information System (INIS)
Farizon, B.; Farizon, M.; Gaillard, M.J.; Gerlic, E.; Ouaskit, S.
1994-09-01
The production of H 3 + ions resulting from single collisions of mass-selected ionic hydrogen clusters, H n + (n=9,25,31), with helium at high velocity (1.55 times the Bohr velocity) has been studied. A strong double H 3 + ion production resulting from one incident cluster is observed. Moreover, evidence for a triple H 3 + fragment production is presented for n=25 and 31. Thus, in this energy range, the collision gives rise to multifragmentation processes. The formation of H 3 + ions takes place in the fragmentation of the multicharged cluster resulting from the collision. (authors)
Atomic scattering in the diffraction limit: electron transfer in keV Li+-Na(3s, 3p) collisions
DEFF Research Database (Denmark)
Poel, Mike van der; Nielsen, C.V.; Rybaltover, M.
2002-01-01
We measure angle differential cross sections (DCS) in Li+ + Na --> Li + Na+ electron transfer collisions in the 2.7-24 keV energy range. We do this with a newly constructed apparatus which combines the experimental technique of cold target recoil ion momentum spectroscopy with a laser-cooled target...... of the de Broglie wavelength lambda(dB) = 150 fm at a velocity v = 0.20 au and the effective atomic diameter for electron capture 2R = 20 au. Parallel AO and MO semiclassical coupled-channel calculations of the Na(3s, 3p) --> Li(2s, 2p) state-to-state collision amplitudes have been performed, and quantum...
Manders, M.P.I.; Ruyten, W.M.J.; van de Beucken, F..J.H.M.; Driessen, J.P.J.; Veugelers, W.J.T.; Kramer, P.H.; Vredenbregt, E.J.D.; van Hoek, W.B.M.; Sandker, G.J.; Beijerinck, H.C.W.; Verhaar, B.J.
1988-01-01
We describe the design, operation, and calibration of a crossed-beam experiment for the study of intramultiplet mixing collisions of short-lived electronically excited Ne{(2p)5(3p)}≡{α} atoms with ground-state atoms/molecules. The excellent performance of almost 1 kHz/Å2 (number of counts per unit
International Nuclear Information System (INIS)
Moretto, L.G.
1981-04-01
The role of fluctuations in deep inelastic collisions is discussed. The relevance of the statistical equilibrium limit to the description of substantially relaxed degrees of freedom is assessed. The effects of fluctuations are considered specifically for the following processes: (a) the correlation between entrance-channel angular momentum and exit-channel kinetic energy; (b) the sharing of the dissipated kinetic energy between the two fragments; (c) the alignment of the fragment angular momentum. It is found that statistical fluctuations play a major role and that the statistical equilibrium limit seems to have been reached in a number of instances
Charge breeding investigation in EBIS/T and collision study of ions with cold atoms for HITRAP
Energy Technology Data Exchange (ETDEWEB)
Sokolov, Alexey
2010-01-29
Highly charged ions (HCI) at low velocities or at rest are interesting systems for various atomic physics experiments. For investigations on HCI of heavy stable or radioactive nuclides the HITRAP (Highly charged Ion TRAP) decelerator facility has been set up at GSI to deliver cooled beams of HCI at an energy of 5 keV/q. The HCI are produced in a stripper foil at relativistic energies and are decelerated in several steps at ESR storage ring and HITRAP before they are delivered to experimental setups. One of the experiments is the investigation of multi-electron charge exchange in collisions of heavy HCI with cold atoms using novel MOTRIMS technique. Collision experiments on light ions from an ECR ion source colliding with cold atoms in a MOT have been performed and the results are described. An electron beam ion trap (EBIT) has been tested and optimized for commissioning of the HITRAP physics experiments. The process of charge breeding in the EBIT has been successfully studied with gaseous elements and with an alkaline element injected from an external ion source. (orig.)
Safarzade, Zohre; Fathi, Reza; Shojaei Akbarabadi, Farideh; Bolorizadeh, Mohammad A.
2018-04-01
The scattering of a completely bare ion by atoms larger than hydrogen is at least a four-body interaction, and the charge transfer channel involves a two-step process. Amongst the two-step interactions of the high-velocity single charge transfer in an anion-atom collision, there is one whose amplitude demonstrates a peak in the angular distribution of the cross sections. This peak, the so-called Thomas peak, was predicted by Thomas in a two-step interaction, classically, which could also be described through three-body quantum mechanical models. This work discusses a four-body quantum treatment of the charge transfer in ion-atom collisions, where two-step interactions illustrating a Thomas peak are emphasized. In addition, the Pauli exclusion principle is taken into account for the initial and final states as well as the operators. It will be demonstrated that there is a momentum condition for each two-step interaction to occur in a single charge transfer channel, where new classical interactions lead to the Thomas mechanism.
Charge breeding investigation in EBIS/T and collision study of ions with cold atoms for HITRAP
International Nuclear Information System (INIS)
Sokolov, Alexey
2010-01-01
Highly charged ions (HCI) at low velocities or at rest are interesting systems for various atomic physics experiments. For investigations on HCI of heavy stable or radioactive nuclides the HITRAP (Highly charged Ion TRAP) decelerator facility has been set up at GSI to deliver cooled beams of HCI at an energy of 5 keV/q. The HCI are produced in a stripper foil at relativistic energies and are decelerated in several steps at ESR storage ring and HITRAP before they are delivered to experimental setups. One of the experiments is the investigation of multi-electron charge exchange in collisions of heavy HCI with cold atoms using novel MOTRIMS technique. Collision experiments on light ions from an ECR ion source colliding with cold atoms in a MOT have been performed and the results are described. An electron beam ion trap (EBIT) has been tested and optimized for commissioning of the HITRAP physics experiments. The process of charge breeding in the EBIT has been successfully studied with gaseous elements and with an alkaline element injected from an external ion source. (orig.)
Theoretical and experimental investigation of atomic radiative lifetimes and hyperfine structures
International Nuclear Information System (INIS)
Joensson, Per.
1992-01-01
Atomic radiative lifetimes and hyperfine structures as well as other properties, such as total energy and specific mass shift, have been studied theoretically and experimentally. Computer programs to calculate hyperfine structure constants from non-relativistic multiconfiguration Hartree-Fock (MCHF) and relativistic multi-configuration Dirac-Fock (MCDF) wavefunctions have been written. Using these programs large-scale calculations of hyperfine structures in lithium and sodium have been performed. It is shown, that the MCHF method is able to predict hyperfine structures to an accuracy of a few per mille in lithium, whereas for the more complex hyperfine structures to an accuracy of a few per mille in lithium, whereas for the more complex sodium atom an accuracy of a few per cent is obtainable. For lithium convergence of the total energy, ionization energy, specific mass shift and hyperfine parameters has been studied with the MCHF method. Radiative lifetimes and hyperfine structures of excited states in sodium and silver have been experimentally determined using time-resolved laser spectroscopy. By recording the fluorescence light decay curves following VUV excitation, the radiative lifetimes and hyperfine structures of the 7p 2 P states in silver were measured. The delayed-coincidence technique has been used to make very accurate measurements of the radiative lifetimes and hyperfine structures of the lowest P states in sodium and silver
A theoretical inquiry into the question of W and Ta (100) atomic structures
International Nuclear Information System (INIS)
Treglia, G.; Spanjaard, D.
1983-01-01
In spite of the very large number of experiments (LEED, AES, UPS, MeV He + scattering, work function, FIM) carried out on W (100), no structural model consistent with all the data has been proposed yet: in particular, the question of the reconstruction thermally induced when the sample is cooled below room temperature remains a puzzling problem. Furthermore, from a theoretical point of view, no definitive answer has been given. Actually, either the mechanism invoked for the reconstruction is too weak, or some contributions are omitted or calculated without sufficient care. The surface energy of W (100) is computed taking into account the band term treated in the tight binding approximation, a pairwise repulsive potential of the Born-Mayer type and the electronic correlation contribution obtained from a perturbation treatment of the Hubbard model in the band limit. This energy is then fully minimised with respect to all coordinates of surface atoms, keeping all atoms neutral for any displace,ment. It is found that the unreconstructed surface is the most stable at T = 0 K and discuss this unexpected result. A similar calculation for Ta (100) leads to opposite conclusions. (author)
Theoretical Study of Energy Levels and Transition Probabilities of Boron Atom
Tian Yi, Zhang; Neng Wu, Zheng
2009-08-01
Full Text PDF Though the electrons configuration for boron atom is simple and boron atom has long been of interest for many researchers, the theoretical studies for properties of BI are not systematic, there are only few results reported on energy levels of high excited states of boron, and transition measurements are generally restricted to transitions involving ground states and low excited states without considering fine structure effects, provided only multiplet results, values for transitions between high excited states are seldom performed. In this article, by using the scheme of the weakest bound electron potential model theory calculations for energy levels of five series are performed and with the same method we give the transition probabilities between excited states with considering fine structure effects. The comprehensive set of calculations attempted in this paper could be of some value to workers in the field because of the lack of published calculations for the BI systems. The perturbations coming from foreign perturbers are taken into account in studying the energy levels. Good agreement between our results and the accepted values taken from NIST has been obtained. We also reported some values of energy levels and transition probabilities not existing on the NIST data bases.
Kleinpoppen, Hans; Grum-Grzhimailo, Alexei N
2013-01-01
The main goal of this book is to elucidate what kind of experiment must be performed in order to determine the full set of independent parameters which can be extracted and calculated from theory, where electrons, photons, atoms, ions, molecules, or molecular ions may serve as the interacting constituents of matter. The feasibility of such perfect' and-or `complete' experiments, providing the complete quantum mechanical knowledge of the process, is associated with the enormous potential of modern research techniques, both, in experiment and theory. It is even difficult to overestimate the role of theory in setting of the complete experiment, starting with the fact that an experiment can be complete only within a certain theoretical framework, and ending with the direct prescription of what, and in what conditions should be measured to make the experiment `complete'. The language of the related theory is the language of quantum mechanical amplitudes and their relative phases. This book captures the spi...
Energy dependence of the anisotropy of noncharacteristic x-rays emitted in fast ion-atom collisions
International Nuclear Information System (INIS)
Thoe, R.S.; Sellin, I.A.; Brown, M.D.; Forester, J.P.; Griffin, P.M.; Pegg, D.J.; Peterson, R.S.
1974-01-01
The effect of beam velocity and K-shell binding energy on the angular distributions of the noncharacteristic x-radiation emitted for various collision pairs. The results are in general agreement with the calculations of Mueller and Greiner, in that the anisotropy increases rapidly with energy, provided that the ions are still moving slowly, compared to the velocity of the K-shell electrons of the separated atoms. The anisotropy in some cases exceeds the maximum permitted by the Mueller--Greiner model for the zero alignment case, implying that strong alignment phenomena also occur
CDW-EIS model for single-electron capture in ion-atom collisions involving multielectronic targets
International Nuclear Information System (INIS)
Abufager, P N; MartInez, A E; Rivarola, R D; Fainstein, P D
2004-01-01
A generalization of the continuum distorted wave eikonal initial state (CDW-EIS) approximation, for the description of single-electron capture in ion-atom collisions involving multielectronic targets is presented. This approximation is developed within the framework of the independent electron model taking particular care of the representation of the bound and continuum target states. Total cross sections for single-electron capture from the K-shell of He, Ne and Ar noble gases by impact of bare ions are calculated. Present results are compared to previous CDW-EIS ones and to experimental data
International Nuclear Information System (INIS)
Fritsch, W.; Kimura, M.; Lane, N.F.
1990-01-01
Electron transfer and excitation in 0.05- to 20-keV/amu He + +Na(3s) collisions is studied theoretically within the close-coupling method with two-electron molecular- and atomic-orbital expansion basis sets. Results agree with the trend of other information on this system. Remaining discrepancies that are larger than those in similar contemporary studies of one-electron systems are discussed with reference to the convergence of this two-electron study. Results for the integral alignment parameter A 20 are also presented as a guideline for future experimental study
International Nuclear Information System (INIS)
Ito, Rinsuke; Tabata, Tatsuo; Shirai, Toshizo; Phaneuf, R.A.
1993-06-01
Analytic expressions fitted to Barnett's recommended data are given for the cross sections of the following reactions: (1) electron capture by H, H + , H 2 + , He + , and He 2+ colliding with atoms, molecules, and ions and (2) electron capture into excited states by H + , He + , and He 2+ colliding with atoms and molecules. The latter category includes cross sections for photon emission due to electron capture. The expressions use the semiempirical functional forms proposed by Green and McNeal and some modified forms to make it possible not only to interpolate but also to extrapolate the recommended data. (author)
Pandey, Mukesh Kumar; Lin, Yen-Chang; Ho, Yew Kam
2017-02-01
The effects of weakly coupled or classical and dense quantum plasmas environment on charge exchange and ionization processes in Na+ + Rb(5s) atom collision at keV energy range have been investigated using classical trajectory Monte Carlo (CTMC) method. The interaction of three charged particles are described by the Debye-Hückel screen potential for weakly coupled plasma, whereas exponential cosine-screened Coulomb potential have been used for dense quantum plasma environment and the effects of both conditions on the cross sections are compared. It is found that screening effects on cross sections in high Debye length condition is quite small in both plasma environments. However, enhanced screening effects on cross sections are observed in dense quantum plasmas for low Debye length condition, which becomes more effective while decreasing the Debye length. Also, we have found that our calculated results for plasma-free case are comparable with the available theoretical results. These results are analyzed in light of available theoretical data with the choice of model potentials.
International Nuclear Information System (INIS)
Ghanbari Adivi, E.; Kanjuri, F.; Bolorizadeh, M.
2006-01-01
The positronium formation differential cross sections in collision of the high-energy but non-relativistic electrons with anti-hydrogen atoms are calculated by using the three-body Faddeev-Watson-Lovelace formalism. In a second-order approximation, the inter-nuclear and nuclear-electronic partial amplitudes therein the Faddeev-Watson series are calculated, analytically, in the range of 0-180 degrees of the scattering angles. The presence of the T homas peak a t 45 d egree i s investigated. The results are discussed for 1 and 10 keV impact energies and for electron transition from anti-hydrogen ground state into the different states therein the K-, L- and M- shells of the positronium atoms.
International Nuclear Information System (INIS)
Leredde, Arnaud
2012-01-01
Single charge transfer in low-energy Na"++"8"7Rb(5s,5p) collisions is investigated using magneto-optically trapped Rb atoms and high-resolution recoil-ion momentum spectroscopy. The three-dimensional reconstruction of the recoil-ion momentum provides accurate relative cross-sections for the active channels and the projectile scattering angle distributions. Thanks to the high experimental resolution, scattering structures such as diffraction-like oscillations in angular distributions are clearly observed. The measurements are compared with molecular close-coupling calculations and an excellent agreement is found. To go further in the test of the theory, the target is prepared in an oriented state. It is the first time that such collision experiments with oriented target is performed with such a high resolution. The right-left asymmetry expected for the scattering angle distribution is evidenced. The agreement between MOCC calculations and experiments is very good. Simple models developed for collisions with oriented target are also discussed. (author) [fr
Cross sections for double K-shell ionization in slow heavy ion-atom collisions, ch. 4
International Nuclear Information System (INIS)
Hoogkamer, T.P.; Woerlee, P.H.; Saris, F.W.
1977-01-01
Cross sections for Ksub(αα) X-ray production have been measured in collisions of 200 keV N + → NH 3 , N 2 , H 2 O; O + → NH 3 , H 2 O and 200, 400, 600 keV Ne 2+ → Ne. Fluorescence yields for Ksub(αα) two-electron one-photon transitions have been estimated for N and O, whereas for Ne, theoretical values for the fluorescence yield are available. We have used these to obtain double K-shell ionizzation cross sections which are compared to calculated cross section based on the theory for rotational coupling in the transient quasimolecular state
Wang, Hui; Li, Xu; Gao, Liang; Zhai, Jiao; Liu, Ru; Gao, Xueyun; Wang, Dongqi; Zhao, Lina
2016-06-01
Peptide coated gold nanoclusters (AuNCs) have a precise molecular formula and atomic structure, which are critical for their unique applications in targeting specific proteins either for protein analysis or drug design. To date, a study of the crystal structure of peptide coated AuNCs is absent primarily due to the difficulty of obtaining their crystalline phases in an experiment. Here we study a typical peptide coated AuNC (Au24Peptide8, Peptide = H2N-CCYKKKKQAGDV-COOH, Anal. Chem., 2015, 87, 2546) to figure out its atomic structure and electronic structure using a theoretical method for the first time. In this work, we identify the explicit configuration of the essential structure of Au24Peptide8, Au24(Cys-Cys)8, using density functional theory (DFT) computations and optical spectroscopic experiments, where Cys denotes cysteine without H bonded to S. As the first multidentate ligand binding AuNC, Au24(Cys-Cys)8 is characterized as a distorted Au13 core with Oh symmetry covered by two Au(Cys-Cys) and three Au3(Cys-Cys)2 staple motifs in its atomic structure. The most stable configuration of Au24(Cys-Cys)8 is confirmed by comparing its UV-vis absorption spectrum from time-dependent density-functional theory (TDDFT) calculations with optical absorption measurements, and these results are consistent with each other. Furthermore, we carry out frontier molecular orbital (FMO) calculations to elucidate that the electronic structure of Au24(Cys-Cys)8 is different from that of Au24(SR)20 as they have a different Au/S ratio, where SR represents alkylthiolate. Importantly, the different ligand coatings, Cys-Cys and SR, in Au24(Cys-Cys)8 and Au24(SR)20 cause the different Au/S ratios in the coated Au24. The reason is that the Au/S ratio is crucial in determining the size of the Au core of the ligand protected AuNC, and the size of the Au core corresponds to a specific electronic structure. By the adjustment of ligand coatings from alkylthiolate to peptide, the Au/S ratio
Coincident Auger electron and recoil ion momentum spectroscopy for low-energy ion-atom collisions
International Nuclear Information System (INIS)
Laurent, G.; Tarisien, M.; Flechard, X.; Jardin, P.; Guillaume, L.; Sobocinski, P.; Adoui, L.; Bordenave-Montesquieu, A.; Bordenave-Montesquieu, D.; Chesnel, J.-Y.; Fremont, F.; Hennecart, D.; Lienard, E.; Maunoury, L.; Moretto-Capelle, P.; Cassimi, A.
2003-01-01
The recoil ion momentum spectroscopy (RIMS) method combined with the detection of Auger electrons has been used successfully to analyse double electron capture following O 6+ + He collisions at low impact velocities. Although RIMS and Auger spectroscopies are known to be efficient tools to obtain details on the primary processes occurring during the collision, the conjunction of both techniques provides new insights on the electron capture process. In the present experiment, triple coincidence detection of the scattered projectile, the target recoil ion and the Auger electron allows for a precise identification of the doubly excited states O 4+ (1s 2 nln ' l ' ) populated after double electron-capture events
Search for Fermi shuttle mechanisms in electron emission from atomic collision sequences
International Nuclear Information System (INIS)
Suarez, S.; Jung, M.; Rothard, H.; Schosnig, M.; Maier, R.; Clouvas, A.; Groeneveld, K.O.
1994-01-01
In electron spectra induced by slow heavy ion bombardment of solids a high energy tail can be observed, which is suggested to be explained by multiple collision sequences. In order to find those multiple collision effects like the ''Fermi shuttle'' acceleration mechanism we measured doubly differential electron emission cross sections for H + (33.5-700 keV) impact on different targets (He, Ne, C and Au) as a function of projectile energy and electron emission angle. We observed a surprising target dependence of the electron emission within the range of electron energies close to that of the binary encounter electrons for all observed angles of emission. (orig.)
International Nuclear Information System (INIS)
Jardin, P.
1995-01-01
This work is dedicated to the study of the energy transfer mechanisms which occur during a collision between a swift multicharged heavy ion and a neutral atom. The elementary energy energy transfer mechanisms (scattering, excitation, ionization, capture) and their consequences on the target velocity after the collision (recoil velocity) are recalled in the first chapter. In the case of small projectile diffusion angles, we show that the recoil velocity component, transverse to the incident projectile direction, results principally from the diffusion mechanism, while the longitudinal component is due essentially to the mass transfer and the inelastic energy transfer mechanisms. Since the target recoil velocities are very small, we have built an experimental set-up which reduces the impreciseness on their measurement due to the target thermal spread using, as targets, cooled atoms of a supersonic jet (temperature 44+ (6.7 MeV/A) + Ar => Xe 44 + Ar q+ +qe - (q ranging from 1 to 7); Xe 44+ (6.7 MeV/A) + He => Xe 44+ He 1+,2+ +1e - ,2e - . We show that it is possible to interpret the recoil velocity in terms of kinetic energy transferred to the target and to the electrons ejected from the target. (author)
International Nuclear Information System (INIS)
Len, P.M.; Thevuthasan, S.; Fadley, C.S.; Kaduwela, A.P.; Van Hove, M.A.
1994-01-01
We consider from a theoretical viewpoint the direct imaging of atoms at and near the surfaces of solids by both x-ray-fluorescence holography (XFH) and electron-emission holography (EEH). The more ideal nature of x-ray scattering makes XFH images superior to those in single-energy EEH. The overlap of real and twin features for pairs of atoms at ±a can cause their XFH or EEH atomic images to cancel for certain combinations of wave vector and |a|. The relative merits of XFH and EEH for structure studies are considered
International Nuclear Information System (INIS)
Yakimenko, I.P.; Zagorodny, A.G.
1980-01-01
The kinetic theory of fluctuations is used to investigate the influence of the collisions of charged particles with atoms and molecules on the dynamic form-factors of semi-infinite weakly ionized plasma. It is shown that the collisions between the electrons and neutral particles and the diffuse processes connected with them lead to a much increased influence of the boundary on correlations in a plasma [ru
International Nuclear Information System (INIS)
Fawcett, B.C.; Hibbert, A.
1989-11-01
Details are here provided of amendments to the atomic structure code CIV3 which allow the optional adjustment of Slater parameters and average energies of configurations so that they result in improved energy levels and eigenvectors. It is also indicated how, in principle, the resultant improved eigenvectors can be utilised by the R-matrix collision code, thus providing an optimised target for close coupling collision strength calculations. An analogous computational method was recently reported for distorted wave collision strength calculations and applied to Fe XIII. The general method is suitable for the computation of collision strengths for complex ions and in some cases can then provide a basis for collision strength calculations in ions where ab initio computations break down or result in unnecessarily large errors. (author)
Theoretical charge-exchange total cross sections for B+3 + He and C+4 + He collisions
International Nuclear Information System (INIS)
Shipsey, E.J.; Browne, J.C.; Olson, R.E.
1977-01-01
Charge-exchange total cross sections for the B +3 + He and C +4 + He systems have been calculated in the velocity range v = (1--10) x 10 7 cm/sec. Ab initio potential-energy curves and coupling-matrix elements were computed and employed in the impact-parameter classical-coupled equations that describe the collision to obtain the cross sections. For the B +3 + He system, our calculations are in excellent agreement with experimental results with the finding that the single-electron-transfer cross section rises rapidly to a maximum of 1.45 x 10 -15 cm 2 at v = 5.5 x 10 7 cm/sec. For the C +4 + He system, however, we find that the double-electron-transfer process is more important than the single-electron-transfer process. For example, at v = 5 x 10 7 cm/sec, the double-electron-transfer cross section is found to be 0.6 x 10 -16 cm 2 vs 5.5 x 10 -17 for the single-electron transfer. This is in disagreement with an experiment of Crandall which gave the single-charge-transfer process as dominant. However, the more recent experiment reported by Crandall, Olson, Browne, and Shipsey verifies the double charge transfer as the dominant process for low energies
Sensitized fluorescence in thallium induced in collisions with Hg(6/sup 3/P/sub 1/) atoms
Energy Technology Data Exchange (ETDEWEB)
Wade, M K; Czajkowski, M; Krause, L [Windsor Univ., Ontario (Canada). Dept. of Physics
1978-07-01
The transfer of excitation from excited mercury atoms to ground-state thallium atoms was investigated using techniques of sensitized fluorescence. A Hg-Tl vapor mixture contained in a quartz cell was irradiated with Hg 2537 A resonance radiation which caused the mercury atoms to become excited to the 6/sup 3/P/sub 1/ state. Subsequent collisions between the Hg(6/sup 3/P/sub 1/) and Tl(6/sup 2/Psub(1/2)) atoms resulted in the population of the 8/sup 2/Ssub(1/2), 6/sup 2/D, and 7/sup 2/Ssub(1/2) thallium states, whose decay gave rise to sensitized fluorescence of wavelengths 3231, 3520, 3776, and 5352 A. Intensity measurements on the sensitized fluorescence and on the Hg 2537 A resonance fluorescence, observed at right angles to the direction of excitation, yielded cross sections of 3.0, 0.3, and 0.05 A/sup 2/ for collisional excitation transfer from Hg(6/sup 3/P/sub 1/) to the 8/sup 2/Ssub(1/2), 6/sup 2/D, and 7/sup 2/Ssub(1/2) states in thallium, respectively. The results are fully consistent with previously determined cross sections for excitation transfer in other binary metallic vapor systems.
l- and n-changing collisions during interaction of a pulsed beam of Li Rydberg atoms with CO2
Dubreuil, B.; Harnafi, M.
1989-07-01
The pulsed Li atomic beam produced in our experiment is based on controlled transversely-excited-atmospheric CO2 laser-induced ablation of a Li metal target. The atomic beam is propagated in vacuum or in CO2 gas at low pressure. Atoms in the beam are probed by laser-induced fluorescence spectroscopy. This allows the determination of time-of-flight and velocity distributions. Li Rydberg states (n=5-13) are populated in the beam by two-step pulsed-laser excitation. The excited atoms interact with CO2 molecules. l- and n-changing cross sections are deduced from the time evolution of the resonant or collision-induced fluorescence following this selective excitation. l-changing cross sections of the order of 104 AṦ are measured; they increase with n as opposed to the plateau observed for Li* colliding with a diatomic molecule. This behavior is qualitatively well explained in the framework of the free-electron model. n-->n' changing processes with large cross sections (10-100 AṦ) are also observed even in the case of large electronic energy change (ΔEnn'>103 cm-1). These results can be interpreted in terms of resonant-electronic to vibrational energy transfers between Li Rydberg states and CO2 vibrational modes.
International Nuclear Information System (INIS)
Ito, Rinsuke; Tabata, Tatsuo; Shirai, Toshizo; Phaneuf, R.A.
1994-07-01
Analytic expressions fitted to Barnett's recommended data are given for the cross sections of excitation and spectral line emission by H, H + , He + , He, and He 2+ colliding with atoms and molecules. The expressions use the semiempirical functional forms proposed by Green and McNeal and some modified forms to make it possible not only to interpolate but also to extrapolate the recommended data. (author)
Atomic-process cross section data, 1
International Nuclear Information System (INIS)
1974-12-01
Compiled by the Data Study Group, the data are intended for fusion plasma physics research. Cross sections of the latest experimental and theoretic studies cover the processes involving H,D,T as principal plasma materials as well as photons and electrons: emission and absorption of electromagnetic wave, electron collision, ion collision, recombination, neutral atom mutual collision, etc. Edition is so made to enable the future renewal by users. (J.P.N.)
Free hydrogen atom collision cross sections of interest in controlled thermonuclear research
Energy Technology Data Exchange (ETDEWEB)
Fite, W L [John Jay Hopkins Laboratory for Pure and Applied Science, General Atomic Division of General Dynamics Corporation, San Diego, CA (United States)
1958-07-01
The present paper summarizes the results of measurements of the cross sections of hydrogen atoms for: (1) ionization, (2) excitation of Lyman alpha radiation on electron impact, and (3) elastic scattering of electrons of energy less than 10 eV; and also describes the approach of measurements now in progress on (4) charge-exchange between deuterons and deuterium atoms and (5) ionization of the hydrogen atom on proton impact.
Electron emission induced by atomic collisions in gaseous targets and solids
International Nuclear Information System (INIS)
Meckbach, W.
1988-01-01
In this work, it is considered only the process of single collision with gaseous targets. The possible inelastic processes are: excitation and ionization of both, target and incident beam. The attention was concentrated to the processes of direct ionization which may give rise to electron emission. (A.C.A.S.) [pt
International Nuclear Information System (INIS)
Flechard, X.
2012-12-01
Since the early 1990's, Recoil Ion Momentum Spectroscopy is an ideal tool for ion-atom and ion-molecule collisions study. We detail here the development of this experimental technique during the last twenty years, illustrated with some of the most striking results obtained at GANIL (Caen) and J.R. Mac Donald Laboratory (Kansas State University). Recoil Ion Momentum Spectroscopy is also particularly well suited for β-ν angular correlation measurements in nuclear β decay. The LPCTrap experiment, installed at GANIL, is based on this technique, coupled to the use of a Paul trap for the radioactive ions confinement. The precise measurements performed with this setup allow both, to test specific aspects of the Standard Model of elementary particles, and to study the electron shake-off process following β decay. (author)
Datta, Dipankar; Shee, Nirmal K; von Szentpály, László
2013-01-10
We present the first large-scale empirical examination of the relation of molecular chemical potentials, μ(0)(mol) = -½(I(0) + A(0))(mol), to the geometric mean (GM) of atomic electronegativities, (GM) = (GM), and demonstrate that μ(0)(mol) ≠ -(GM). Out of 210 molecular μ(0)(mol)values considered more than 150 are not even in the range min{μ(0)(at)} (GM). For this equation the root-mean-square of relative errors amounts to SE = 71%. Our results are at strong variance with Sanderson's electronegativity equalization principle and present a challenge to some popular practice in conceptual density functional theory (DFT). The influences of the "external" potential and charge dependent covalent and ionic binding contributions are discussed and provide the theoretical rationalization for the empirical facts. Support is given to the warnings by Hinze, Bader et al., Allen, and Politzer et al. that equating the chemical potential to the negative of electronegativity may lead to misconceptions.
Study of e-+ alkaline atom inelastic collisions with the Glauber approxmation
International Nuclear Information System (INIS)
Bielschowsky, C.E.
1984-01-01
Glauber's approximation is used to study discrete excitations in alkali atoms by electron impact. The interaction between the incident electron and the core electrons and (N-1) nuclear charges is described through an Yukawa-like potential. Analitical expressions for m 2 S and m 2 P excitations are obtained, as well as numerical results for several excitations processes in alkali atoms. (Author) [pt
International Nuclear Information System (INIS)
Hudan, Sylvie
2001-01-01
In order to understand the fragment production which occurs in heavy ion collisions at intermediate energies we have performed in this work an experimental and theoretical study of multifragmentation. The set of data obtained with the INDRA detector over a wide range of incident energy for the Xe+Sn system allows to perform a study of central collisions which shows that the maximum of fragment production is around 65 MeV/n of incident energy. A more detailed study of central collisions from 32 to 50 MeV/n of bombarding energy, based on fragment/particle correlation functions, has helped to determine the characteristics of primary fragments produced by the collision. The excitation energy of the se fragments shows a saturation at a value of 3 MeV/n beyond 39 MeV/n of beam energy and the evaporated particles represent less than 40% (23% at 50 MeV/n) of all light charged particles, which indicates the importance of the collision dynamics. Calculations with the antisymmetrized molecular dynamics model AMD have been made in order to study the role of dynamics and the time evolution of the collision. The simulations are in good agreement with the experimental data, namely for the most central collisions at 50 and 100 MeV/n of beam energy for the Xe+Sn system. In this scope some developments have been necessary so that the diffusion properties of nucleons in nuclear matter can be better taken into account. The calculations allowed to locate the fragment time production between 100 and 200 fm/c in central collisions at 50 MeV/n of beam energy. Furthermore they showed a transparency effect even in the most central collisions. The comparison with the experimental data show that this effect is slightly overestimated in the calculations. (author) [fr
Transitions between the fine structure components of C+ in collision with atomic hydrogen
International Nuclear Information System (INIS)
Bazet, J.F.; Harel, C.; McCarroll, R.; Riera, A.
1975-01-01
The cross section for excitation of the 2 Psub(1/2)- 2 Psub(3/2) transition in thermal C + ( 2 P)-H( 2 S) collisions is calculated in the framework of the semiclassical approximation using the potential energy curves of the 1 Σ, 1 π, 3 π, 3 Σ states of CH + , determined by an exchange perturbation method. Full account is taken of the exchange interaction and of the trajectory effects induced by the long range polarization potential. For low energies E, such that E/k 350 K, sigma depends on the exchange interaction. The cross section, which presents a maximum of 130a 2 0 for E/k approximately equal to 180 K, is lower by about 50% than that calculated by Weisheit and Lane. The cooling function due to C + -H collisions in the interstellar clouds is computed as a function of the kinetic temperature of the medium. (orig.) [de
Coincident Auger electron and recoil ion momentum spectroscopy for low-energy ion-atom collisions
Energy Technology Data Exchange (ETDEWEB)
Laurent, G. E-mail: glaurent@ganil.fr; Tarisien, M.; Flechard, X.; Jardin, P.; Guillaume, L.; Sobocinski, P.; Adoui, L.; Bordenave-Montesquieu, A.; Bordenave-Montesquieu, D.; Chesnel, J.-Y.; Fremont, F.; Hennecart, D.; Lienard, E.; Maunoury, L.; Moretto-Capelle, P.; Cassimi, A
2003-05-01
The recoil ion momentum spectroscopy (RIMS) method combined with the detection of Auger electrons has been used successfully to analyse double electron capture following O{sup 6+} + He collisions at low impact velocities. Although RIMS and Auger spectroscopies are known to be efficient tools to obtain details on the primary processes occurring during the collision, the conjunction of both techniques provides new insights on the electron capture process. In the present experiment, triple coincidence detection of the scattered projectile, the target recoil ion and the Auger electron allows for a precise identification of the doubly excited states O{sup 4+} (1s{sup 2}nln{sup '}l{sup '}) populated after double electron-capture events.
Studies of electron correlation effects in multicharged ion atom collisions involving double capture
Energy Technology Data Exchange (ETDEWEB)
Stolterfoht, N.; Sommer, K.; Griffin, D.C.; Havener, C.C.; Huq, M.S.; Phaneuf, R.A.; Swenson, J.K.; Meyer, F.W.
1988-01-01
We review measurements of L-Coster Kronig and Auger electron production in slow, multicharged collision systems to study electron correlation effects in the process of double electron capture. The n/sup /minus/3/ law was confirmed for the production of the Coster-Kronig configurations 1s/sup 2/2pn/ell/ (n greater than or equal to 6) in O/sup 6 +/ + He collisions. Enhancement of high angular momentum /ell/ in specific 1s/sup 2/2pn/ell/ configurations was observed by means of high-resolution measurements of the Coster-Kronig lines. The importance of electron correlation effects in couplings of potential energy curves leading to the 1s/sup 2/2pn/ell/ configurations is verified by means of Landau-Zener model calculations. 32 refs., 4 figs.
Studies of electron correlation effects in multicharged ion atom collisions involving double capture
International Nuclear Information System (INIS)
Stolterfoht, N.; Sommer, K.; Griffin, D.C.; Havener, C.C.; Huq, M.S.; Phaneuf, R.A.; Swenson, J.K.; Meyer, F.W.
1988-01-01
We review measurements of L-Coster Kronig and Auger electron production in slow, multicharged collision systems to study electron correlation effects in the process of double electron capture. The n/sup /minus/3/ law was confirmed for the production of the Coster-Kronig configurations 1s 2 2pn/ell/ (n ≥ 6) in O 6+ + He collisions. Enhancement of high angular momentum /ell/ in specific 1s 2 2pn/ell/ configurations was observed by means of high-resolution measurements of the Coster-Kronig lines. The importance of electron correlation effects in couplings of potential energy curves leading to the 1s 2 2pn/ell/ configurations is verified by means of Landau-Zener model calculations. 32 refs., 4 figs
International Nuclear Information System (INIS)
Chakarova, R.; Pazsit, I.
1997-01-01
Fluctuation phenomena are investigated in various collision processes, i.e. ion bombardment induced sputtering and defect creation. The mean and variance of the sputter yield and the vacancies and interstitials are calculated as functions of the ion energy and the ion-target mass ratio. It is found that the relative variance of the defects in half-spaces and the relative variance of the sputter yield are not monotonous functions of the mass ratio. Two-point correlation functions in the depth variable, as well as sputtered energy, are also calculated. These functions help interpreting the behaviour of the relative variances of the integrated quantities, as well as understanding the cascade dynamics. All calculations are based on Lindhard power-law cross sections and use a binary collision Monte Carlo algorithm. 30 refs, 25 figs
Energy Technology Data Exchange (ETDEWEB)
Chakarova, R.; Pazsit, I.
1997-01-01
Fluctuation phenomena are investigated in various collision processes, i.e. ion bombardment induced sputtering and defect creation. The mean and variance of the sputter yield and the vacancies and interstitials are calculated as functions of the ion energy and the ion-target mass ratio. It is found that the relative variance of the defects in half-spaces and the relative variance of the sputter yield are not monotonous functions of the mass ratio. Two-point correlation functions in the depth variable, as well as sputtered energy, are also calculated. These functions help interpreting the behaviour of the relative variances of the integrated quantities, as well as understanding the cascade dynamics. All calculations are based on Lindhard power-law cross sections and use a binary collision Monte Carlo algorithm. 30 refs, 25 figs.
Multiple ionization effects in atomic collisions in the K-L matching region
International Nuclear Information System (INIS)
Piticu, I.; Ciortea, C.; Dumitriu, D.; Enulescu, A.; Fluerasu, D.; Szilagyi, S.Z.; Zoran, V.; Bucur, B.I.
1994-01-01
The multiple ionization effect in the determination of 3dσ vacancy production cross sections and sharing probabilities in asymmetric quasimolecular collisions near K-L level matching, for the collision systems Fe, Co, Ni, and Cu + Bi in the energy range 0.25 - 1.75 MeV/u have been studied. The experimental energy and intensity shifts of some projectile and target X-ray lines, as well as Dirac-Hartree-Fock calculations, have been used to estimate average single particle probabilities for multiple ionization of projectile L- and target M-shells. Using these estimates and a standard procedure, the experimental 3dσ vacancy production cross sections and sharing probabilities have been corrected for multiple ionization. The influence of the multiple ionization-induced increase in binding energy of the molecular orbitals implied in vacancy sharing is discussed. (Author)
About the close collisions of the fast positrons and electrons with the string atoms
International Nuclear Information System (INIS)
Kudrin, V.V.; Vorobiev, S.A.
1975-01-01
The penetration behaviour of 20 MeV electron in MgO single crystal was studied. In the calculations the early described version of the binary collision model based on the classical mechanics was used. The classical theory has been shown to be valid for the scattering of the fast electrons in the crystal lattice. For the comparison with the behaviour of the positive particles the scattering of 20MeV positrons under the same conditions was simulated
Diffraction structures in delta electron spectra emitted in heavy-ion atom collisions
International Nuclear Information System (INIS)
Liao, C.; Bhalla, C.; Shingal, R.; Schmidt-Boecking, H.; Shinpaugh, J.; Wolf, W.; Wolf, H.
1992-01-01
We have measured doubly differential cross sections DDCS for projectiles between F and Au and find evidence for strong diffraction structure in the Binary Encounter region of the emitted electron spectra for Au(Z=79), I(Z=53) and Cu(Z=29) projectiles, however not for F projectiles in the collision energy range between 0.2 and 0.5 MeV/u. (orig.)
Theoretical studies of atomic transitions. Progress report, March 15, 1985-March 14, 1986
International Nuclear Information System (INIS)
Fischer, C.F.
1986-01-01
A brief description of the research program for atomic studies is given. The program includes an effort to combine the Multi-Configuration Hartree-Fock (MCHF) method with Many-Body Perturbation Theory and the development of a database system for atomic data generated by the atomic structure package. 6 refs
Excitation of Li and Na atoms in collisions with He and Ne
International Nuclear Information System (INIS)
Olsen, J.Oe.; Andersen, T.; Andersen, N.
1977-01-01
Total emission cross sections and polarizations have been measured for the 2 2 S - 2 2 P, 2 2 P - 3 2 D and 2 2 P - 3 2 S LiI multiplets in Li - He,Ne collisions, and the 3 2 S - 3 2 P and 3 2 P - 3 2 D NaI multiplets in Na - He,Ne collisions in the 0.6 - 60 keV energy range. The excitation of the alkali resonance multiplet is found to be the dominant inelastic process for all four collision systems. The behaviour is very similar to the previously investigated Be + - He,Ne and Mg + - He,Ne systems. The results are compared with recent calculations by Manique et al based on a quasi-one electron description using various model potentials. Good agreement is found for Li - He with a simple Hartree-Fock frozen-core potential. The agreement is fair for Li,Na - He calculations with a Baylis type potential but poor for calculations based on Bottcher model potentials. For Ne as target all three potentials by far overestimate the size of the cross section. (Auth.)
Quasiclassical treatment of the Auger effect in slow ion-atom collisions
Frémont, F.
2017-09-01
A quasiclassical model based on the resolution of Hamilton equations of motion is used to get evidence for Auger electron emission following double-electron capture in 150-keV N e10 ++He collisions. Electron-electron interaction is taken into account during the collision by using pure Coulombic potential. To make sure that the helium target is stable before the collision, phenomenological potentials for the electron-nucleus interactions that simulate the Heisenberg principle are included in addition to the Coulombic potential. First, single- and double-electron captures are determined and compared with previous experiments and theories. Then, integration time evolution is calculated for autoionizing and nonautoionizing double capture. In contrast with single capture, the number of electrons originating from autoionization slowly increases with integration time. A fit of the calculated cross sections by means of an exponential function indicates that the average lifetime is 4.4 ×10-3a .u . , in very good agreement with the average lifetime deduced from experiments and a classical model introduced to calculate individual angular momentum distributions. The present calculation demonstrates the ability of classical models to treat the Auger effect, which is a pure quantum effect.
On the Lippmann--Schwinger equation for atom--diatom collisions: A rotating frame treatment
International Nuclear Information System (INIS)
Kouri, D.J.; Heil, T.G.; Shimoni, Y.
1976-01-01
The use of a rotating frame description of molecular collisions is reconsidered within the framework of the Lippmann--Schwinger equation for the transition or T operator. The present approach explicitly displays the proper boundary conditions which apply to descriptions of such collisions in the rotating frame whose Z axis follows the scattering vector. The resulting body frame equations are shown to lead naturally to the introduction of ''body frame Bessel and Hankel functions,'' J/subJ//subj//sup lambda//sup lambda//sup prime/ and H/subJ//subj//sup lambda//sup lambda//sup prime/ (BFBF), which are solutions of the unperturbed Hamiltonian for the collision transformed to the rotating frame. It is found that the BFBF can be defined in several ways differing by phase factors that affect their asymptotic form. Two particular choices are examined, one of which leads to a simple asymptotic form of the wavefunction, and the other leads to a somewhat more complicated form. Both are shown to yield the j/subz/-conserving coupled states equations of McGuire and Kouri but slightly different approximations are required in the two cases. The implication of these results as to the accuracy of the j/subz/CCS method are discussed
Theoretical study of the reaction kinetics of atomic bromine with tetrahydropyran
Giri, Binod
2015-02-12
A detailed theoretical analysis of the reaction of atomic bromine with tetrahydropyran (THP, C5H10O) was performed using several ab initio methods and statistical rate theory calculations. Initial geometries of all species involved in the potential energy surface of the title reaction were obtained at the B3LYP/cc-pVTZ level of theory. These molecular geometries were reoptimized using three different meta-generalized gradient approximation (meta-GGA) functionals. Single-point energies of the stationary points were obtained by employing the coupled-cluster with single and double excitations (CCSD) and fourth-order Møller-Plesset (MP4 SDQ) levels of theory. The computed CCSD and MP4(SDQ) energies for optimized structures at various DFT functionals were found to be consistent within 2 kJ mol-1. For a more accurate energetic description, single-point calculations at the CCSD(T)/CBS level of theory were performed for the minimum structures and transition states optimized at the B3LYP/cc-pVTZ level of theory. Similar to other ether + Br reactions, it was found that the tetrahydropyran + Br reaction proceeds in an overall endothermic addition-elimination mechanism via a number of intermediates. However, the reactivity of various ethers with atomic bromine was found to vary substantially. In contrast with the 1,4-dioxane + Br reaction, the chair form of the addition complex (c-C5H10O-Br) for THP + Br does not need to undergo ring inversion to form a boat conformer (b-C4H8O2-Br) before the intramolecular H-shift can occur to eventually release HBr. Instead, a direct, yet more favorable route was mapped out on the potential energy surface of the THP + Br reaction. The rate coefficients for all relevant steps involved in the reaction mechanism were computed using the energetics of coupled cluster calculations. On the basis of the results of the CCSD(T)/CBS//B3LYP/cc-pVTZ level of theory, the calculated overall rate coefficients can be expressed as kov.,calc.(T) = 4.60 × 10
International Nuclear Information System (INIS)
Barsanti, S; Bicchi, P
2002-01-01
In this paper we report on the atomic population redistribution originating from the ionization that takes place in a dense Ga vapour kept in quartz cells and resonantly excited by laser radiation, in the collisions between two excited atoms. This ionization process is known as energy-pooling ionization (EPI). The electron/ion recombination that takes place in the low density plasma produced gives rise to population in the atomic Rydberg levels and from the latter via cascade transitions to lower lying ones. We have monitored the fluorescences relative to the radiative emissions from such levels, namely those corresponding to the nP → 5S 1/2 series, with 9 ≤ n ≤ 26, and the 4D → 4P 1/2,3/2 transitions. Their characteristics testify to their origin as being due to the EPI process. Further confirmation is obtained by performing a time-resolved analysis of such fluorescences, whose appearance and time evolution is strongly influenced by the dynamics of the process. The effect of the introduction of a few Torr of buffer gas inside the quartz cell, resulting in the quenching of all the fluorescences for n ≥ 12, is also discussed
Atomic scattering in the diffraction limit: electron transfer in keV Li+-Na(3s, 3p) collisions
International Nuclear Information System (INIS)
Poel, M van der; Nielsen, C V; Rybaltover, M; Nielsen, S E; Machholm, M; Andersen, N
2002-01-01
We measure angle differential cross sections (DCS) in Li + + Na → Li + Na + electron transfer collisions in the 2.7-24 keV energy range. We do this with a newly constructed apparatus which combines the experimental technique of cold target recoil ion momentum spectroscopy with a laser-cooled target. This setup yields a momentum resolution of 0.12 au, an order of magnitude better angular resolution than previous measurements on this system. This enables us to clearly resolve Fraunhofer-type diffraction patterns in the angle DCS. In particular, the angular width of the ring structure is given by the ratio of the de Broglie wavelength λ dB = 150 fm at a velocity v = 0.20 au and the effective atomic diameter for electron capture 2R = 20 au. Parallel AO and MO semiclassical coupled-channel calculations of the Na(3s, 3p) → Li(2s, 2p) state-to-state collision amplitudes have been performed, and quantum scattering amplitudes are derived by the eikonal method. The resulting angle-differential electron transfer cross sections and their diffraction patterns agree with the experimental level-to-level results over most scattering angles in the energy range
International Nuclear Information System (INIS)
Bellum, J.C.; McGuire, P.
1983-01-01
We investigate forms of the molecular system Hamiltonian valid for rigorous quantum-mechanical treatments of inelastic atom--diatom collisions characterized by exchange of energy between electronic, vibrational, and rotational degrees of freedom. We analyze this Hamiltonian in terms of various choices of independent coordinates which unambiguously specify the electronic and nuclear positions in the context of space-fixed and body-fixed reference frames. In particular we derive forms of the Hamiltonian in the context of the following four sets of independent coordinates: (1) a so-called space-fixed set, in which both electronic and nuclear positions are relative to the space-fixed frame; (2) a so-called mixed set, in which nuclear positions are relative to the body-fixed frame while electronic positions are relative to the space-fixed frame; (3) a so-called body-fixed set, in which both electronic and nuclear positions are relative to the body-fixed frame; and (4) another mixed set, in which nuclear positions are relative to the space-fixed frame while electronic positions are relative to the body-fixed frame. Based on practical considerations in accounting for electronic structure and nonadiabatic coupling of electronic states of the collision complex we find the forms of the Hamiltonian in the context of coordinate sets (3) and (4) above to be most appropriate, respectively, for body-fixed and space-fixed treatments of nuclear dynamics in collisional transfer of electronic, vibrational, and rotational energies
A theoretical study of hydrogen atoms adsorption and diffusion on PuO_2 (110) surface
International Nuclear Information System (INIS)
Yu, H.L.; Tang, T.; Zheng, S.T.; Shi, Y.; Qiu, R.Z.; Luo, W.H.; Meng, D.Q.
2016-01-01
The mechanisms of adsorption and diffusion of hydrogen atoms on the PuO_2 (110) surface are investigated by density functional theory corrected for onsite Coulombic interactions (GGA + U). In order to find out the energetically more favorable adsorption site and optimum diffusion path, adsorption energy of atomic H on various sites and the diffusion energy barrier are derived and compared. Our results show that both chemisorption and physisorption exist for H atoms adsorption configurations on PuO_2 (110) surface. Two processes for H diffusion are investigated using the climbing nudged-elastic-band (cNEB) approach. We have identified two diffusion mechanisms, leading to migration of atomic H on the surface and diffusion from surface to subsurface. The energy barriers indicate that it is energetically more favorable for H atom to be on the surface. Hydrogen permeation through purity PuO_2 surface is mainly inhibited from hydrogen atom diffusion from surface to subsurface. - Highlights: • H atoms adsorption on PuO_2 (110) surface are investigated by GGA + U. • Both chemisorption and physisorption exist for H atoms adsorption configurations. • H atoms migration into PuO_2 (100) surface are inhibited with the barrier of 2.15 eV. • H atoms diffusion on PuO_2 (110) surface are difficult at room temperature.
Classical description of the electron capture to the continuum cusp formation in ion-atom collisions
International Nuclear Information System (INIS)
Illescas, Clara; Pons, B.; Riera, A.
2002-01-01
Classical calculations are used to describe the dynamics of the electron capture to the continuum (ECC) cusp formation in H + +He collisions. We illustrate the frontier character of the ECC electrons between capture and ionization, and confirm that it is a temporary capture, through projectile focusing, that is responsible for the ECC cusp. Furthermore, the cusp is not a divergence smoothed by the experiment, and is slightly shifted from the impact-velocity value because of the residual pull from the target after ionization. This shift is larger the smaller the nuclear velocity
Effect of solute atoms on collision cascades in copper and molybdenum irradiated with self-ions
International Nuclear Information System (INIS)
English, C.A.; Eyre, B.L.; Wadley, H.; Stathopoulos, A.Y.
1975-01-01
An examination of the effect material purity has on the numbers and sizes of the vacancy loops formed in collision cascades produced by self-ion irradiation of copper and molybdenum is reported. It is shown that substitutional and interstitial impurities both markedly reduce the damage generated in molybdenum by 60 keV Mo + ions but little effect is seen in copper irradiated by 30 keV Cu + ions. These results are compared with recent observations of vacancy defects in type 316 stainless steel following irradiation with 40-200 keV Cr + . The comparison highlights the much lower vacancy concentration retained in visible clusters in the complex alloy
Quantum-mechanical study of ionization in slow collisions of antiprotons with hydrogen atoms
International Nuclear Information System (INIS)
Sakimoto, Kazuhiro
2004-01-01
The cross sections for the ionization p+H→p+p+e at low collision energies are computed with a complete quantum-mechanical method of time-dependent wave-packet propagation, which was applied to the protonium formation (→pp+e) by the present author [Phys. Rev. A 65, 012706 (2002)]. The ionization process shows very large cross sections even near threshold energy. An impact-parameter semiclassical method, in which the trajectory bending is taken into account by the introduction of the adiabatic potential, is also examined for the calculation of the ionization cross section. The semiclassical results are in good agreement with the quantum-mechanical results
International Nuclear Information System (INIS)
Kawakami, Kazuki; Fujimoto, Takasi
2001-01-01
We treat classically the n-, l- and m r -changing transitions and ionization. Excitation cross sections against the final state energy continue smoothly to the 'ionization cross sections'. The steady state populations determined by elastic collisions among the degenerate states in the same n level show higher populations in the m 1 =0 states, suggesting positive polarizations of Lyman lines emitted from plasmas having directional electrons. For ionization, the two outgoing electrons have large relative angles, suggesting reduced three body recombination rates for these plasmas. (author)
Martin, Nicholas L. S.; deHarak, Bruno A.
2010-01-01
From 30 July to 1 August 2009, over a hundred scientists from 18 countries attended the International Symposium on (e,2e), Double Photoionization and Related Topics and the 15th International Symposium on Polarization and Correlation in Electronic and Atomic Collisions which were held at the W T Young Library of the University of Kentucky, USA. Both conferences were satellite meetings of the XXVI International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC) held in Kalamazoo, Michigan, USA, 21-28 July 2009. These symposia covered a broad range of experimental and theoretical topics involving excitation, ionization (single and multiple), and molecular fragmentation, of a wide range of targets by photons and charged particles (polarized and unpolarized). Atomic targets ranged from hydrogen to the heavy elements and ions, while molecular targets ranged from H2 to large molecules of biological interest. On the experimental front, cold target recoil ion momentum spectroscopy (COLTRIMS), also known as the Reaction Microscope because of the complete information it gives about a wide variety of reactions, is becoming commonplace and has greatly expanded the ability of researchers to perform previously inaccessible coincidence experiments. Meanwhile, more conventional spectrometers are also advancing and have been used for increasingly sophisticated and exacting measurements. On the theoretical front great progress has been made in the description of target states, and in the scattering calculations used to describe both simple and complex reactions. The international nature of collaborations between theorists and experimentalists is exemplified by, for example, the paper by Ren et al which has a total of 13 authors of whom the experimental group of six is from Heidelberg, Germany, one theoretical group is from Australia, with the remainder of the theoreticians coming from several different institutions in the United States. A total of 52 invited talks and
International Nuclear Information System (INIS)
McGuire, J.H.
1992-01-01
This paper reports that the many-body and many-electron problem is common in various areas of physics as well as in chemistry and biology. Basic understanding of phenomena ranging from the nature of matter at the creation of time to the properties of useful materials in the human environment is limited by the boundaries of our knowledge of the many-body problem. There is an advantage in studying the many-body problem in atomic physics since the two-body and parts of the three-body problem are understood. Furthermore, both the mystery of the meanings of quantum mechanics and the mystery of the transition from microscopic time-reversible atomic processes to the dynamics of macroscopic time-irreversible aggregates of atomic particles is inherent in the many-body problems of atomic interactions. Thus, by studying the many-body problem in atomic physics we are able to develop effective tools to discover insights that provide both meaning and utility in our lives