Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory

© 2015 IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.A key component in calculations of exchange and correlation energies is the Coulomb operator, which requires the evaluation of two-electron integrals. For localized basis sets, these four-center integrals are most efficiently evaluated with the resolution of identity (RI) technique, which expands basis-function products in an auxiliary basis. In this work we show the practical applicability of a localized RI-variant ('RI-LVL'), which expands products of basis functions only in the subset of those auxiliary basis functions which are located at the same atoms as the basis functions. We demonstrate the accuracy of RI-LVL for Hartree-Fock calculations, for the PBE0 hybrid density functional, as well as for RPA and MP2 perturbation theory. Molecular test sets used include the S22 set of weakly interacting molecules, the G3 test set, as well as the G2-1 and BH76 test sets, and heavy elements including titanium dioxide, copper and gold clusters. Our RI-LVL implementation paves the way for linear-scaling RI-based hybrid functional calculations for large systems and for all-electron many-body perturbation theory with significantly reduced computational and memory cost.

Transcultural satire in German fiction of Turkish migration: Self-deprecation, ethnic impersonation, intertexuality

My dissertation presents a study of satire in contemporary German Fiction of Turkish migration. Engaging with a body of works hitherto neglected in scholarship, I examine how satirical texts, films, and plays intervene critically in discourses on post-unification German national identity. Drawing on the seminal work of scholars such as Leslie Adelson, Tom Cheesman, B. Venkat Mani, Petra Fachinger, and Deniz Göktürk, my dissertation expands the scholarship of Turkish German Studies by linking a discussion of satire as a critical rhetoric to the question of how we talk about what it means to be German.

Chapter one offers a novel framework of the satirical vis-à-vis standard conceptions of satire and deconstructionist theories of reading. I understand satire as a form of rhetoric that creates moments of ambiguity by bringing together intersectional categories like gender, ethnicity, race, religion, in order to challenge the audience’s practices of interpreting cultural otherness. Chapter two examines the use of ethnic self-deprecation as one such strategy in Osman Engin’s short stories and his first novel, Kanaken-Ghandi through the lens of Bakhtinian polyphony and Judith Butler’s work on hate speech. Engin, I argue, employs ethnic selfdeprecation as a narrative strategy to straddle the line between deconstructing and re-affirming cultural stereotypes. Investigating the role of ethnic impersonation in Hussi Kutlucan’s film Ich Chef, Du Turnshuh, the third chapter turns to the question of ethnicity as a visual signifier for the negotiation of cultural inclusion and exclusion in post-1990 film. In dialogue with Katrin Sieg’s work on ethnic drag and Amy Robinson’s theory of passing, I show how the film challenges ethnically-coded narratives of Germanness. In the final chapter on Nurkan Erpulat and Jens Hillje’s play Verrücktes Blut, I discuss how intertextuality and adaptation (Hutcheon, Genette) of different story and character worlds are used to create moments of ambiguity and overdeterminacy in the play, in order to challenge the audience’s perception of what an inclusive German society might look like.

Virgin Territory: Theology, Purity, and the Rise of the Global Sex Trade

Sex sells. A lot. But who exactly is on the market?

What kinds of bodies are calibrated for traffic and consumption, and how exactly do they get there? When it comes to “sex” trafficking—which comprises a minority percentage of human trafficking, yet dominates the moral imagination as an “especially heinous” crime—the rise in predominantly white, evangelical Christian American interest in the trafficked subject galvanizes an ethical outrage that rarely observes critiques of race, ethnicity, sexuality or class as conditions of possibility. Though a nuanced mandate to fight trafficking is all but cemented in the contemporary American political and moral conscience, Virgin Territory accounts for the ways Christian ideas of purity annex both gender and sexuality inside the legacies of racialized colonial encounter, and foreground the market expansion of the global sex trade as it exists today.

In Part I, I argue that the narratives of virginity tied to Mary’s body simultaneously foregrounded the gendered, sexed Other as sparked disdain for the religious Other, for the Jewish body and for Mary’s Jewish identity. Through this analysis I explore the connections of racial identity to the Christian theological elision of Jewish election. I demonstrate how the questions of sexual ethics materialized at the site of the Virgin Mary, and align the moral attachments of sex and purity in the production of whiteness. These machinations, tied to the emerging European identity of empire, irrupt horrifically into the narrative ontology of dark flesh in Africa, Asia, and the Americas.

In Part II, I highlight the function of these narratives inside of the moments of colonial encounter, demonstrating how the logics of purity and virginity were directly applied to manage dark female flesh. I map the visual iconography of the Black Madonna first through a Dutch painting entitled The Rape of the Negress. I read this image through the social theological imagination instantiating the idea of the reprobate body and white imperial gaze. This analysis foregrounds a theological reading of Sarah Baartman, the “Hottentot Venus,” as the center of a complex sex trafficking investigation, outlining the genealogy of race, as well as the ideologies of the racial, ethnic and national Other, as mitigating factors in the conditions of possibility of a global sex trade. By restoring these narratives and their theological undertones, I reiterate the ways Christian thought is imbricated in the global sex trade, and propose theological strategies for rethinking humanitarian responses to sex trafficking.

Dedication and Display of Portrait Statues in Hellenistic Greece: Spatial Practices and Identity Politics

This dissertation models a new approach to the study of ancient portrait statues—one that situates them in their historical, political, and spatial contexts. By bringing into conversation bodies of evidence that have traditionally been studied in discrete categories, I investigate how statue landscapes articulated and reinforced a complex set of political and social identities, how space was utilized and manipulated on a local and a regional level, and how patrons responded to the spatial pressures and visual politics of statue dedication within a constantly changing landscape.

Instead of treating sites independently, I have found it to be more productive—and, indeed, necessary—to examine broader patterns of statue dedication. I demonstrate that a regional perspective, that is, one that takes into account the role of choice and spatial preference in setting up a statue within a regional network of available display locations, can illuminate how space shaped the ancient practice of portrait dedication. This level of analysis is a new approach to the study of portrait statues and it has proved to be a productive way of thinking about how statues and context were used together to articulate identity. Understanding how individual monuments worked within these broader landscapes of portrait dedications, how statue monuments functioned within federal systems, and how monuments set up by individuals and social groups operated along side those set up by political bodies clarifies the important place of honorific statues as an expression of power and identity within the history of the site, the region, and Hellenistic Greece.

Knowing The Way: Scriptural Imagination and the Acts of the Apostles

In this dissertation, I offer a pedagogical proposal for learning the Christian Scriptures guided by respect for the nature of the reader and the integrity of the biblical text. Christian educators have profitably developed recent theoretical interest in the body’s role in human meaning with regard to worship and praxis methodologies, but the implications of this research for communal study of the biblical text merit further development. I make the case for adopting scriptural imagination as the goal of pedagogically constructed encounters with the Christian Scriptures. The argument proceeds through a series of questions addressing both sides of the text/reader encounter.

Chapter one considers the question “what is the nature of the reader and, subsequently, the shape of the reader’s ways of knowing?” This investigation into recent literature on the body’s involvement in human knowing includes related epistemological shifts with Christian education. On the basis of this survey, imagination emerges as a compelling designator of an incorporative, constructive creaturely capacity that gives rise to a way of being in the world. Teachers of Scripture who intend to participate in Christian formation should account for the imagination’s centrality for all knowing. After briefly situating this proposal within a theological account of creatureliness, I make the initial case for Scriptural imagination as a pedagogical aim.

Imagination as creaturely capacity addresses the first guiding value, but does this proposal also respect the integrity and nature of the biblical text, and specifically of biblical narratives? In response, in chapter two I take up the Acts of the Apostles as a potential test case and exemplar for the dynamics pertinent to the formation of imagination. Drawing on secondary literature on the genre and literary features of Acts, I conclude that Acts coheres with this project’s explicit interest in imagination as a central component of the process of Christian formation in relationship to the Scriptures.

Chapters three and four each take up a pericope from Acts to assess whether the theoretical perspectives developed in prior chapters generate any interpretive payoff. In each of these chapters, a particular story within Acts functions as a test case for readings of biblical narratives guided by a concern for scriptural imagination. Each of these chapters begins with further theoretical development of some element of imaginal formation. Chapter three provides a theoretical account of practices as they relate to imagination, bringing that theory into conversation with Peter’s engagement in hospitality practices with Cornelius in Acts 10:1-11:18. Chapter four discusses the formative power of narratives, with implications for the analysis of Paul’s shipwreck in Acts 27:1-28:16.

In the final chapter, I offer a two-part constructive pedagogical proposal for reading scriptural narratives in Christian communities. First, I suggest adopting resonance above relevance as the goal of pedagogically constructed encounters with the Scriptures. Second, I offer three ways of reading with the body, including the physical, ecclesial, and social bodies that shape all learning. I conclude by identifying the importance of scriptural imagination for Christian formation and witness in the twenty-first century.