bluuebunny/crossref_metadata_2025_split huggingface dataset:
Estimating the relativistic energy by diffusion quantum Monte Carlo
Authors: Vrbik J , Depasquale M F , Rothstein S M 
Published: November 2023

Abstract
Heavy atoms are problematic in QMC calculations for several reasons. Their energies are large, they have many electrons, and the time scales for core and valence electron motions are widely different. Larger local energy fluctuations are associated with higher energies. More electrons require longer computational efforts. Different time scales require short steps in one region and long equilibration times in others. The result is an estimated scaling of computational effort with zB-7, the sixth to seventh power of the nuclear charge Z. The Z-dependence can be reduced with the use of pseudopotentials, and this approach has been pursued with success, but not without introducing uncertainties. This paper describes an entirely different method which retains all the electrons, but treats core and valence electrons in different ways. The basic idea is that of treating core electrons by Metropolis sampling and valence electrons by diffusion with drift. Separate trial functions t/JT,core and were chosen orthogonal such that the valence electrons were prevented from collapsing into the core. For the core electrons the Metropolis walks were taken without branching and produced a distribution of walkers. For the valence electrons normal diffusion walks with drift produced a distribution. A smooth transition between regions was obtained with a damping function to eliminate branching as valence electrons approached the core.
Ground-state properties of metallic lithium
Authors: Sugiyama G , Alder B J 
Published: November 2023

Abstract
As reported in this paper, both variational and fixed-node diffusion QMC calculations were used to determine electronic properties for bulk lithium. The calculations were carried out for cubic supercells containing lithium nuclei at fixed sites in body-centered cubic and face-centered cubic lattice structures with up to 108 atoms. The trial functions for importance sampling were constructed in two forms: one with Gaussian plane-wave functions and the other with more complex augmented plane-wave functions. Slightly lower energies were obtained in variational QMC for the Gaussian form, and equivalent results were obtained in fixed-node diffusion Q1,1C for the two forms. Simple spherical trial functions gave significantly higher energies for compressed systems. Energies, pair distribution functions, and electron densities were investigated for crystal densities ranging from about 0.25 to 90 times the densities at normal pressures. The variation of cohesive energy with density was found in reasonable agreement with experimental results in calculations using the larger numbers of atoms in the supercell. The lattice constants were also in good agreement for these cases. In general, this paper showed that fixed-node diffusion calculations were feasible for metallic systems and could be competitive with alternative methods.
Quantum chemistry by random walk: Exact treatment of many-electron systems
Authors: Anderson J B , Traynor C A , Boghosian B M 
Published: November 2023

Abstract
This paper reports the first exact quantum treatment of a manyelectron system. The QMC method used is exact in that it requires no mathematical approximations and no physical approximations beyond those of the Schrödinger equation. It requires no interpolations and no extrapolations. As in most Monte Carlo methods, there is a statistical or sampling error which is readily estimated and which may be made arbitrarily small by additional computation. The method is illustrated with applications to the problems of a particle in a two-dimensional box, excited H2 3E;!”, and linear symmetric H-H-H. The “sign problem in fermion Monte Carlo” is solved by a cancellation scheme in which positive and negative walkers in close proximity may cancel each other, a device mentioned in an early paper by Ulama and described later by Arnow et al.b Time-step error is eliminated by use of Green’s function QMC, and cancellation is made on the basis of overlapping Green’s functions for movement of walkers, made efficient by a Monte Carlo procedure to eliminate conditional acceptance of walker moves. Importance sampling is incorporated in order to reduce statistical error in the energies determined. For the case of clamped-nucleus H2 3E;!” at an internuclear distance of 1.4 bohr, the calculated energy was -0.7838 ± 0.0007 hartrees, a value consistent with prior analytic variational calculations. For the H-H-H system at separations of 1.757 bohr, the energy determined was -1.6591 ± 0.0003 hartrees, a value lower than that of any variational
Treatment of rigid bodies by diffusion Monte Carlo: Application to the para-H2-H20 and ortho-H2-H20 clusters
Authors: Buch V 
Published: November 2023

Abstract
This paper describes the application of diffusion QMC to the problem of motions of molecules in small clusters in which some or all of the molecules can be treated as rigid bodies. For the loosely bound ground state of H2-H20 clusters the high-frequency intramolecular vibrations of H atoms in H2 and in H20 are decoupled from the lower-frequency intermolecular vibrations and both H2 and H20 can be considered rigid bodies. A potential energy surface based on rigid bodies was obtained as an approximate fit to data from abinitio calculations. It has three minima for H2 in the plane of the H20 molecule and two out of the plane. The diffusion calculations were carried out in angular coordinates for the rigid rotor motions and cartesian coordinates for the H2-H20 translational motions. In some cases the H20 molecule was completely fixed. For para-H2 and para-H20 the ground state wavefunctions are fully symmetric and without nodes so that no restrictions were necessary. For ortho-H2 and para-H20 a cancelnlation procedure for walkers with opposite H2 rotation vectors was required to impose the antisymmetry condition. In this case the rotational state of free H2 is triply degenerate and the degeneracy was observed to remain in the presence of H20 with distributions
Diffusion Monte Carlo determination of the binding energy of the 4He nucleus for model Wigner potentials
Authors: Bishop R F , Buendia E , Flynn M F , Guardiola R 
Published: November 2023

Abstract
The diffusion QMC method is especially well suited for a number of problems in areas far from the electronic structure theory of atomic and molecular systems. This paper describes a set of problems in the binding of nucleons for which a wide variety of other methods (mostly variational, including independent pair correlations, configuration interaction, coupled cluster, coupled rearrangement, and many others) have given some accurate results, but for which the DQMC method gives essentially exact results. The example here is the two-proton, two-neutron 4He nucleus with four different model Wigner potentials that omit some of the basic features of the problem but may be considered “quasi-realistic.” The four model potentials, known as V7, Bl, S3, and MTV, are of a form such that the ground state is nodeless, thus providing ideal cases for DQMC. Both variational and diffusion QMC calculations were carried out for each of the model potentials using a trial wavefunction consisting of a product of Gaussian functions, one for each nucleon, multiplied by a nucleon-nucleon Jastrow function, all optimized to minimize the VQMC energy (not the variance). The VQMC energies so obtained were in broad agreement with those of other methods, but the DQMC energies were lower and for each of the four interactions may be considered the most accurate available. As noted in the paper, these provide “an extremely accurate set of reference numbers against which other approximate techniques .
Peeling Bifurcations
Authors: Gilmore Robert , Letellier Christophe 
Published: November 2023

Abstract
In Chapter 4 we saw that a dynamical system can have many inequivalent double covers, each with the same symmetry group. This was shown explicitly for double covers of adynamical system exhibiting horseshoe dynamics. The four distinct double covers all possessed R z (n) symmetry but possessed different topological indices (no, n1 ) . The rotation axis of the symmetry group R z (n) linked the image dynamical system in four ways (cf. Fig. 4.2). In creating these four distinct double covers we were careful that the rotation axis did not intersect the strange attractor. This is possible at the level of a branched manifold description of the dynamics and sometimes possible for real strange attractors. But it is not always possible. For example, there is usually no clear gap in a (Rossler-like) strange attractor between orbit segments that project to the branches O and 1 under the Birman-Williams projection.
Multichannel Intermittency
Authors: Gilmore Robert , Letellier Christophe 
Published: November 2023

Abstract
Intermittent behavior has been observed under a wide variety of circumstances. Typically, the following behavior is observed. The physical system behaves in a regular, predictable way for a reasonable period of time. Over a rather short period of time, the system departs from regularity and may even behave in a very irregular, highly unpredictable way. Eventually the system returns to the original type of regular behavior and the cycle repeats. The durations of the periods of regular and irregular behaviors are not predictable but the statistics of these time intervals are predictable and vary smoothly with the control parameters.
Symmetry without Groups: “Topological Symmetry”
Authors: Gilmore Robert , Letellier Christophe 
Published: November 2023

Abstract
Cover-image relations occur naturally whenever a g -----+ l (g 2”. 2) local diffeomorphism can be constructed and used to lift a strange attractor in ]Rn (n 2”. 3) to a g-fold cover in ]Rn. Local diffeomorphisms can be constructed algorithmically whenever a sylilliletry group of order g = lgl is identified and its action on ]Rn is given through a defining representation (cf. Chapters 3-6). •We have studied the cover-image relation primarily in JR3 for two important reasons. Most of the strange attractors that have been studied so far exist in JR3 More importantly, chaos in three dimensions is reasonably well understood by now[33,34]; this is not the case for chaos in dimensions n &gt; 3.
Injury Severity
Authors: Robertson Leon S 
Published: November 2023

Abstract
The measurement of injury severity is an essential element of the use of injury epidemiology for injury control. In any given year, virtually everyone experiences minor injuries, such as small scratches, bruises, and burns. Most of these heal with little or no treatment and do not interfere with one’s activities. The energy sources, vehicles and vectors, and other circumstances of injuries are usually not the same for those that are relatively severe and those with trivial consequences. Since trivial injuries are so common, priority in the devotion of resources to control of injuries based on total numbers in a given category can result in substantial misallocation of resources with respect to reducing the cost of injuries and the improvement of the quality of life of the severely injured and their families.
National Injury Surveillance
Authors: Robertson Leon S 
Published: November 2023

Abstract
The word “surveillance,” with its connotation of police watching the residences of suspects, or someone’s phone being tapped, may not be the best word to describe an epidemiological activity. The epidemiological use of the term refers to collection of data on who, when, where and, sometimes, how people become diseased or injured. The data are purged of individual identifiers so that the individuals involved are anonymous.
Evaluation of Agent, Vehicle, and Environmental Modifications
Authors: Robertson Leon S 
Published: November 2023

Abstract
Control of energy, vehicles that convey the energy, and characteristics of environments that contribute to the concentration of energy and vehicles has often been successful in reducing injury when applied. Product manufacturers and the builders of roads, housing, and other products have the opportunity to modify them to reduce the incidence and severity of injurious energy exchanges. The sources of the vast majority of serious injuries are the products of industry and builders in everyday or frequent use, among them motor vehicles, roads, guns, agricultural and industrial machines, stairs, cigarettes, matches, propane lighters, stoves and space heaters, clothing, bedding, swimming pools, and watercraft.
Summation of Principles
Authors: Robertson Leon S 
Published: November 2023

Abstract
Injury is a public health problem that is neglected relative to its importance in lost years of life and disability. Injury control has more immediate health and economic benefits than does chronic disease control. The infectious model-agent, carrier, host-can be applied to injuries. Interventions can reduce injuries, their severity, or consequences by modifying these factors at specific phases of the injury-before and during the acute phase and afterward.
Replenishing the Self: Solitude, Silence, and Mindfulness
Authors: Wicks Robert J 
Published: November 2023

Abstract
The substance of a famous speech in James’s The Ambassadors likewise left a deep impression on Hemingway, as one of the key speeches in The Sun Also Rises reveals. “Listen Jake,” Robert Cohn says in the second chapter. “Don’t you ever get the feeling that all your life is going by and you’re not taking advantage of it? Do you realize you’ve lived nearly half the time you have to live already?” In more casual parlance, Cohn is echoing the words of James’s Lambert Strether, as he unburdens himself to Little Bilham in Gloriani’s beautiful Parish garden. “Live all you can; it’s a mistake not to. It doesn’t so much matter what you do in particular, so long as you have your life.
Radicals for Capitalism
Authors: Burns Jennifer 
Published: November 2023

Abstract
“I am coming back to life,” Rand announced as the Nathaniel Branden Institute entered its second year of existence. Watching Nathan’s lectures fill, Rand began to believe she might yet make an impact on the culture. Roused from her despair, she began once more to write. In 1961 she published her first work of nonfiction, For the New Intellectual, and in 1962 launched her own monthly periodical, The Objectivist Newsletter. Over the course of the decade she reprinted articles from the newsletter and speeches she had given in two more books, The Virtue of Selfishness and Capitalism: The Unknown Ideal. Although she occasionally talked of a fourth novel, Rand had abandoned fiction for good. Instead she reinvented herself as a public intellectual. Gone were the allegorical stories, the dramatic heroes and heroines, the thinly coded references to real politicians, intellectuals, and events. In The Objectivist Newsletter Rand named names and pointed fingers, injecting herself directly into the hottest political issues of the day. Through her speeches and articles she elaborated on the ethical, political, and artistic sides of Objectivism.
It Usually Begins with Ayn Rand
Authors: Burns Jennifer 
Published: November 2023

Abstract
The schisms of 1968 were a disaster for Rand but a boon for many of her readers. Afterward she retreated into private life, emerging only once every year to address the Ford Hall Forum, an event that became known as the “Objectivist Easter.” But the ideological energy amassed by Rand and her followers was too strong to disappear overnight, as had NBI. The break even had an invigorating effect on the spread of Objectivism, broadly considered, because the shuttering of NBI coincided with a new wave of right-wing activity on campus. As young conservatives began to mobilize against an increasingly radical New Left, Rand’s ideas became an important source of inspiration and guidance. And now, without the dictats of NBI, there was ample room for interpretation. No longer “students of Objectivism,” those who liked Rand were free to call themselves Objectivists or libertarians. They could follow the logic of their antistatism all the way to the newly popular position of anarchism or, with a nod to Rand, anarcho-capitalism. Rand’s works were too potent and too popular to be confined or controlled, even by their creator.
Step 5: Dissemination of Findings and Program Materials: The Challenge of Evidence-Based Practice
Authors: Fraser Mark W , Richman Jack M , Galinsky Maeda J , Day Steven H 
Published: November 2023

Abstract
This book is about change—it is about designing change strategies based on research, and evaluating those change strategies in practice. We contend that good practice and good research are excellent partners because, when practice is informed by research, outcomes are often improved. Likewise, when research is informed by practice, the programs that are developed are likely a better fit for the intended population and the intended setting. For well over 100 years, scholars have been working to improve the scientific bases for social-health services—the benefits of those efforts are now emerging.
However, whether focused on the etiology of social and health problems or the effectiveness of the services designed to address problems, the translation of scientific information to practice has rarely operated as intended. Early research findings were often equivocal and interventions were poorly defined; even when interventions seemed to work, they were black boxes with no clear explanation of why they were successful. Fortunately, this situation has begun to change as researchers have based interventions on specific mechanisms hypothesized to mediate risk and outcomes, resulting in more focused interventions and a growing body of promising findings.
Despite these advances, the transfer of knowledge to practice has remained painfully slow. Indeed, the practice strategies employed by current health and mental health professionals may be lagging behind research knowledge by as much as 15 or 20 years (Brekke, Ell, and Palinkas 2007; Institute of Medicine 2001). To close this gap, we need to give greater consideration to dissemination and diffusion in intervention research. As a new program progresses from early design to pilot testing, and then through efficacy and effectiveness trials, we need to anticipate the contingencies that will influence its adoption in the real world.
Nosology of Somatoform Disorders
Authors: Lamberty Greg J 
Published: November 2023

Abstract
There is a clear lack of consensus regarding definitions and nosology in somatoform syndromes, and this is obvious with a cursory review of the clinical literature. Outside of the clinical context, the use of such terms as hysteria, somatization, somatoform disorders, functional somatic syndromes, and medically unexplained symptoms is even more bewildering for patients and nonmedical personnel. Typically, a diagnosis is a descriptive label used to convey information about the nature and cause of a syndrome, disorder, or disease. A good diagnosis not only should convey descriptive information but also should communicate information about prognosis and treatment/management possibilities. In thinking about diagnoses and how they ideally work, an oversimplified example using the common medical diagnosis of hypertension is instructive. Hypertension is chronically elevated blood pressure. Systolic and diastolic blood pressures above certain levels (measured in millimeters of mercury) are considered indications of high blood pressure. Provided that a diagnosis of hypertension is arrived at through well-recognized methods, various forms of treatment or management are indicated. These might include the use of antihypertensive medication, dietary changes, exercise, and/or lifestyle alterations, or a combination of these treatments. While there are doubtless debates about subtleties of determining at-risk levels, methods of measurement, and therapeutic approaches, the basics of a diagnosis of hypertension seem clear.
Someone I Love Has Died
Authors: Silverman Phyllis R , Kelly Madelyn 
Published: November 2023

Abstract
There is perhaps no greater blow than the death of someone you love. Sometimes it’s news that comes in a phone call; sometimes it happens before your eyes. An accident, a sudden heart attack, an overdose, a long illness, a violent death, a bee sting, a suicide: no matter what the cause, it rips out the core of who you are.
Lucilia sericata Laboratory Populations: Toxicant Effects Modified by Stage-Specific Density Dependence and Stochasticity
Authors: Moe S Jannicke , Kristoffersen Anja B , Stenseth Nils C 
Published: November 2023

Abstract
The case study species for this chapter is the green-bottle blowRy Lucilia sericata (Meigen) (Diptera: Calliphoridae), a pest species that attacks sheep and causes significant economic damage worldwide. Pest organisms are typically opportunistic species with high reproductive capacity and rapid growth, which can lead to population out-breaks and large Ructuations in abundances. Here we use RAMAS (Akçakaya 2005) to explore which demographic factors promote population outbreaks for a laboratory system of L. sericata, and how the risks of population outbreaks are affected by toxicant exposure. Although extinction is not very likely for pest populations, analysis of extinction probabilities for different scenarios can nevertheless help identify the factors that suppress the population growth, which can clearly be an aim for control of pest species.
Stressor Impacts on Common Loons in New Hampshire, USA: A Demonstration Study for Effects of Stressors Distributed across Space
Authors: Walters Steven , Kuhn Anne , Nicholson Matthew C , Copeland Jane , Rego Steven A , Nacci Diane E 
Published: November 2023

Abstract
Organisms, the resources upon which they depend, and the stressors that affect them typically exhibit heterogeneous distributions. Such heterogeneity results in spatially distributed populations or, at more extreme levels of heterogeneity, metapopulations (or “populations of subpopulations”; Levins 1970; Hanski 1998) whose broader scale regional dynamics are driven by localized dynamics (births, deaths, etc.) coupled with interactions among subpopulations (e.g., dispersal). Methods and modeling frameworks that explicitly incorporate spatial dimensions of population dynamics can therefore be essential for effective risk assessments. Knowledge of the demography of a wildlife species can be combined with spatially explicit habitat data and information on stressors, through the use of GIS. Such tools can be used to forecast the relative spatial distribution of organisms and to identify potential hotspots at which species and stressors significantly overlap (Dunning et al. 1995; Turner et al. 1995, 2001; Johnson 2002; Landis 2002). Theoretical studies suggest that spatial dependence in wildlife demography and stressor exposure levels can lead to dramatic differences in predictions derived from nonspatial versus spatial modeling approaches (Hiebeler 1997, 2000). In particular, localized stressors affecting source and sink subpopulations (i.e., sub-populations exhibiting net positive vs. negative growth, respectively; Pulliam 1988), interconnected via dispersal, can translate to regional level metapopulation impacts (Pulliam and Danielson 1991).
Islam in Indonesia in the Twenty-First Century
Authors: Mehden Fred R von der 
Published: November 2023

Abstract
Domestic and international forces have transformed Islam in Indonesia significantly since the early 1980s. In this chapter, I assess the nature of these changes and the influence that framed them. Special attention is given to the effect on Islam of two major events since the year 1999: the reemergence of democracy in Indonesia and the ramifications of 9/11 and its aftermath. I consider the implications of these changes on the relation of Islam to democracy, pluralism, the growth of religious radicalism, and reactions to the ‘‘war on terror’’ among Muslims in Indonesia.