The limitations of Slater's element-dependent exchange functional from analytic density functional theory

Our recent formulation of the analytic and variational Slater-Roothaan (SR) method, which uses Gaussian basis sets to variationally express the molecular orbitals, electron density and the one body effective potential of density functional theory, is reviewed. Variational fitting can be extended to the resolution of identity method,where variationality then refers to the error in each two electron integral and not to the total energy. It is proposed that the appropriate fitting functions be charge neutral and that all ab initio energies be evaluated using two-center fits of the two-electron integrals. The SR method has its root in the Slater's Xalpha method and permits an arbitrary scaling of the Slater-Gaspar-Kohn-Sham exchange-correlation potential around each atom in the system. Of several ways of choosing the scaling factors (Slater's exchange parameters), two most obvious are the Hartree-Fock (HF), alpha_HF, values and the exact atomic, alpha_EA, values. The performance of this simple analytic model with both sets for atomization energies of G2 set of 148 molecules is better than the local density approximation or the HF theory, although the errors in atomization energy are larger than the target chemical accuracy. To improve peformance for atomization energies, the SR method is reparametrized to give atomization energies of 148 molecules to be comparbale to those obtained by one of the most widely used generalized gradient approximations. The mean absolute error in ionization potentials of 49 atoms and molecules is about 0.5 eV and that in bond distances of 27 molecules is about 0.02 Angstrom. The overall good performance of the computationally efficient SR method using any reasonable set of alpha values makes it a promising method for study of large systems.Comment: 33 pages, Uses RevTex, to appear in The Journal of Chemical Physic

Public Law 280, Tribal Sovereignty, and the Value of Sovereignty

Public Law 280 was a piece of legislation that dramatically altered the landscape of federal Indian jurisdiction. In order for its legal implications to be made clear, I will first define the general context of federal Indian law, the pillars of governance that tribal nations are able to exercise, and the relationship between tribal nations and the federal government. I will satisfy this requirement of my essay by using the definitional foundations put forth by Michalyn Steele in her article “Congressional Power and Sovereignty in Indian Affairs,” as well as the account given by Vanessa J. Jimenez and Soo C. Song in their article, “Concurrent Tribal and State Jurisdiction under Public Law 280” (Steel 2018; Jimenez 1998). Likewise, I will refer to several influential Supreme Court decisions that shaped these principles. In establishing the jurisdiction exercised by tribal nations prior to the enactment of Public Law 280, I will consult two legal dictionaries that are predominantly concerned with educating the general public about the relationship between the federal government and tribal nations. First, I will look at Native Americans and the Law: A Dictionary, written by Gary Sokolow; secondly, I will look at Indian Jurisdiction, written by Kirke Kickingbird (Sokolow 2000; Kickingbird 1983). Tribal lawyer and indigenous scholar Carole Goldberg, has made an extensive contribution to the legal analysis of Public Law 280 through several essays that can be found in the publication of Planting Tail Feathers: Tribal Survival and Public Law 280 (Goldberg 1997). In these essays, she discusses how Public Law 280 negates the federal trust responsibility, one of the four pillars supporting the doctrine of tribal sovereignty (Goldberg-Ambrose 1997). I will use this book to provide an account of Public Law 280 in Chapter 2 and to explain how the federal trust responsibility is violated by the statute’s enactment. I will use her research to argue that because Public Law 280 tribes no longer possess the federal trust responsibility, they are no longer to be considered sovereigns at all. In Chapter 3, I will turn to the research conducted on behalf of Duane Champagne in his book entitled Captured Justice: Native Nations and Public Law 280, Annita Lucchesi in her report entitled “Missing and Murdered Indigenous Women and Girls,” and the policy brief published by the National Congress of American Indians regarding violent crime committed against Native women. These documents will allow me to establish what an absence of sovereignty looks like for Public Law 280 tribes, and why a solution is warranted. Finally, in Chapter 4, I will utilize Anna Stilz’s article, “Decolonization and Self-Determination” to explain why Public Law 280 tribes have a moral right to self-determination that ought to be seen as a replacement for their diminishment of tribal sovereignty. Likewise, Joanne Barker’s essay, “For Whom Sovereignty Matters,” will prove beneficial for these purposes. The doctrine of tribal sovereignty is violated by Public Law 280. Therefore, Public Law 280 tribes have a moral claim to self-determination. Throughout the course of my research, the method of comparative equilibrium will be implemented. Using this theoretical framework will allow me to build my argument from a legal, as well as from a philosophical perspective. My research objectives for this project are to determine the consistency of Public Law 280 and the doctrine of tribal sovereignty. Likewise, I will develop an argument for how this legal finding contributes to the larger conversation of what it means to be sovereign. To fulfill these objectives, I will provide a legal analysis that will answer my research question: Does Public Law 280 violate the doctrine of tribal sovereignty? The legal analysis will include a historical and legal background so that it can be understood how tribal nations exercised jurisdiction before the enactment of Public Law 280. After this is completed, I will compare the doctrine of tribal sovereignty with the jurisdictional stipulations put forth in Public Law 280 so that I am able to determine the consistency of the two legal texts. I will take the answer to my findings to contribute to the philosophical discussion surrounding the concept of sovereignty, where I will explore the value of sovereignty and what the contemporary application of this concept actually looks like. This will be done through the lens of tribal nations, a group of people for whom consideration has not always been applied when examining the philosophical underpinnings of sovereignty. In other words, thus far, most theories of sovereignty have been developed in response to the political histories of European nations and have tested the conditions of sovereignty against the activities of those nations, while there is a small amount of literature that holds up the conditions of governance that tribal nations abide by to the paradigm of sovereignty. Furthermore, an even smaller amount of literature exists that provides an examination of sovereignty as it applies to Public Law 280 tribal nations. The significance of this project lies in the fact that it serves to fill this gap in the conversation surrounding the concept of sovereignty

Stability, reliability and cross-mode correlations of tests in a recommended 8-minute performance assessment battery

A need exists for an automated performance test system to study drugs, agents, treatments, and stresses of interest to the aviation, space, and environmental medical community. The purpose of this present study is to evaluate tests for inclusion in the NASA-sponsored Automated Performance Test System (APTS). Twenty-one subjects were tested over 10 replications with tests previously identified as good candidates for repeated-measure research. The tests were concurrently administered in paper-and-pencil and microcomputer modes. Performance scores for the two modes were compared. Data from trials 1 to 10 were examined for indications of test stability and reliability. Nine of the ten APT system tests achieved stability. Reliabilities were generally high. Cross-correlation of microbased tests with traditional paper-and-pencil versions revealed similarity of content within tests in the different modes, and implied at least three cognition and two motor factors. This protable, inexpensive, rugged, computerized battery of tests is recommended for use in repeated-measures studies of environmental and drug effects on performance. Identification of other tests compatible with microcomputer testing and potentially capable of tapping previously unidentified factors is recommended. Documentation of APTS sensitivity to environmental agents is available for more than a dozen facilities and is reported briefly. Continuation of such validation remains critical in establishing the efficacy of APTS tests

Genomic analysis of a cardinalfish with larval homing potential reveals genetic admixture in the Okinawa Islands

Discrepancies between potential and observed dispersal distances of reef fish indicate the need for a better understanding of the influence of larval behaviour on recruitment and dispersal. Population genetic studies can provide insight on the degree to which populations are connected, and the development of restriction site‐associated sequencing (RAD‐Seq) methods has made such studies of nonmodel organisms more accessible. We applied double‐digest RAD‐Seq methods to test for population differentiation in the coral reef‐dwelling cardinalfish, Siphamia tubifer, which based on behavioural studies, have the potential to use navigational cues to return to natal reefs. Analysis of 11,836 SNPs from fish collected at coral reefs in Okinawa, Japan, from eleven locations over 3 years reveals little genetic differentiation between groups of S. tubifer at spatial scales from 2 to 140 km and between years at one location: pairwise FST values were between 0.0116 and 0.0214. These results suggest that the Kuroshio Current largely influences larval dispersal in the region, and in contrast to expectations based on studies of other cardinalfishes, there is no evidence of population structure for S. tubifer at the spatial scales examined. However, analyses of outlier loci putatively under selection reveal patterns of temporal differentiation that indicate high population turnover and variable larval supply from divergent source populations between years. These findings highlight the need for more studies of fishes across various geographic regions that also examine temporal patterns of genetic differentiation to better understand the potential connections between early life‐history traits and connectivity of reef fish populations.Peer Reviewedhttps://deepblue.lib.umich.edu/bitstream/2027.42/137719/1/mec14169.pdfhttps://deepblue.lib.umich.edu/bitstream/2027.42/137719/2/mec14169_am.pd

Microcomputer-based tests for repeated-measures: Metric properties and predictive validities

A menu of psychomotor and mental acuity tests were refined. Field applications of such a battery are, for example, a study of the effects of toxic agents or exotic environments on performance readiness, or the determination of fitness for duty. The key requirement of these tasks is that they be suitable for repeated-measures applications, and so questions of stability and reliability are a continuing, central focus of this work. After the initial (practice) session, seven replications of 14 microcomputer-based performance tests (32 measures) were completed by 37 subjects. Each test in the battery had previously been shown to stabilize in less than five 90-second administrations and to possess retest reliabilities greater than r = 0.707 for three minutes of testing. However, all the tests had never been administered together as a battery and they had never been self-administered. In order to provide predictive validity for intelligence measurement, the Wechsler Adult Intelligence Scale-Revised and the Wonderlic Personnel Test were obtained on the same subjects

Duration and exposure to virtual environments: Sickness curves during and across sessions

Although simulator sickness is known to increase with protracted exposure and to diminish with repeated sessions, limited systematic research has been performed in these areas. This study reviewed the few studies with sufficient information available to determine the effect-that exposure duration and repeated exposure have on motion sickness. This evaluation confirmed that longer exposures produce more symptoms and that total sickness subsides over repeated exposures. Additional evaluation was performed to investigate the precise form of this relationship and to determine whether the same form was generalizable across varied simulator environments. The results indicated that exposure duration and repeated exposures are significantly linearly related to sickness outcomes (duration being positively related and repetition negatively related to total sickness). This was true over diverse systems and large subject pools. This result verified the generalizability of-the relationships among sickness, exposure duration, and repeated exposures. Additional research is indicated to determine the optimal length of a single exposure and the optimal intersession interval to facilitate adaptation

Binding of Host Factors Influences Internalization and Intracellular Trafficking of Streptococcus uberis in Bovine Mammary Epithelial Cells

We showed that internalization of Streptococcus uberis into bovine mammary epithelial cells occurred through receptor- (RME) and caveolae-mediated endocytosis (CME). We reported also that treatment of S. uberis with host proteins including lactoferrin (LF) enhanced its internalization into host cells. Since the underlying mechanism(s) involved in such enhancement was unknown we investigated if preincubation of S. uberis with host proteins drives internalization of this pathogen into host cells through CME. Thus, experiments involving coculture of collagen-, fibronectin-, and LF-pretreated S. uberis with bovine mammary epithelial cells treated with RME and CME inhibitors were conducted. Results showed that internalization of host proteins-pretreated S. uberis into mammary epithelial cells treated with RME inhibitors was higher than that of untreated controls. These results suggest that pretreatment with selected host proteins commits S. uberis to CME, thus avoiding intracellular bactericidal mechanisms and allowing its persistence into bovine mammary epithelial cells

Modular Rake of Pitot Probes

The figure presents selected views of a modular rake of 17 pitot probes for measuring both transient and steady-state pressures in a supersonic wind tunnel. In addition to pitot tubes visible in the figure, the probe modules contain (1) high-frequency dynamic-pressure transducers connected through wires to remote monitoring circuitry and (2) flow passages that lead to tubes that, in turn, lead to remote steady-state pressure transducers. Prior pitot-probe rakes were fabricated as unitary structures, into which the individual pitot probes were brazed. Repair or replacement of individual probes was difficult, costly, and time-consuming because (1) it was necessary to remove entire rakes in order to unbraze individual malfunctioning probes and (2) the heat of unbrazing a failed probe and of brazing a new probe in place could damage adjacent probes. In contrast, the modules in the present probe are designed to be relatively quickly and easily replaceable with no heating and, in many cases, without need for removal of the entire rake from the wind tunnel. To remove a malfunctioning probe, one first removes a screw-mounted V-cross-section cover that holds the probe and adjacent probes in place. Then one removes a screw-mounted cover plate to gain access to the steady-state pressure tubes and dynamicpressure wires. Next, one disconnects the tube and wires of the affected probe. Finally, one installs a new probe in the reverse of the aforementioned sequence. The wire connections can be made by soldering, but to facilitate removal and installation, they can be made via miniature plugs and sockets. The connections between the probe flow passages and the tubes leading to the remote pressure sensors can be made by use of any of a variety of readily available flexible tubes that can be easily pulled off and slid back on for removal and installation, respectively

Direct Minimization Generating Electronic States with Proper Occupation Numbers

We carry out the direct minimization of the energy functional proposed by Mauri, Galli and Car to derive the correct self-consistent ground state with fractional occupation numbers for a system degenerating at the Fermi level. As a consequence, this approach enables us to determine the electronic structure of metallic systems to a high degree of accuracy without the aid of level broadening of the Fermi-distribution function. The efficiency of the method is illustrated by calculating the ground-state energy of C$_2$ and Si$_2$ molecules and the W(110) surface to which a tungsten adatom is adsorbed.Comment: 4 pages, 4 figure

Symbiosis initiation in the bacterially luminous sea urchin cardinalfish Siphamia versicolor

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/93717/1/j.1095-8649.2012.03415.x.pd