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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
21

Genetic Structure of Diploid Gametes for the Production of Triploid Citrus Hybrids

HOUSSEM, ROUISS 07 November 2017 (has links)
Tesis por compendio / This thesis aimed to study three main aspects: (i) the mechanisms underlying unreduced pollen gamete formation in the diploid `CSO¿ tangor hybrid used as male parent in 4x x 2x triploid breeding programs, (ii) the frequencies and mechanisms involved in the unreduced 2n female gametes production for `Eureka Frost¿ and `Fino¿ lemon genotypes, and (iii) the interspecific recombination and the resulting diploid gamete structures of doubled-diploid `Mexican¿ lime to evaluate the possibility that natural interploid hybridization maybe the origin of C. latifolia (`Tahiti¿ lime type) and C. aurantifolia (`Tanepao¿ lime type) triploid varieties. The production of 54 tetraploid hybrids from 4x x 2x sexual hybridizations allowed the analysis of the mechanisms underlying unreduced pollen gamete formation. SSR and SNP molecular markers revealed that the majority of these plants were obtained from 2n pollen of the diploid tangor parent. Then, the maximum-likelihood method based on parental heterozygosity restitution (PHR) of centromeric loci revealed that both FDR (First Division Restitution ) with predominant occurrence and to a lower extend SDR (Second Division Restitution) were the mechanisms leading to unreduced male gamete formation in the tangor studied. These observations were confirmed by the analysis of PHR pattern along the linkage group (LG) 2. To our knowledge, this is the first report of tetraploid citrus progenies arising from unreduced pollen and the first description of the coexistence of two meiotic restitution mechanisms (SDR and FDR) producing unreduced pollen in citrus. In order to study the frequencies and the mechanisms involved in the unreduced 2n female gametes production in two different genotypes of lemon, we produced 43 triploid and tetraploid hybrids from 2x x 2x and 2x x 4x sexual hybridizations using `Eureka Frost¿ and `Fino¿ as female parents. The frequencies of 2n gamete production were respectively 4.9% and 8.3%. The maximum-likelihood analysis and pattern of PHR along LG1 revealed that SDR is the main mechanism of unreduced female lemon gametes (88%), followed by FDR or pre-meiotic doubling (PRD) (7%) and post-meiotic genome doubling (PMD) mechanisms (5%). This is the first report of the production of a large number of lemon progenies from 2n gametes and the first identification of a new mechanism, PMD that has never been observed in citrus and has rarely been described in other herbaceous or woody species. Across both studies, we demonstrated at the methodological level the effectiveness of using two complementary approaches, the analysis of the PHR pattern in one LG and the maximum-likelihood method based on centromeric loci for distinguishing between the different mechanisms of unreduced gamete production. We analyzed the meiotic mechanisms of a doubled diploid `Mexican¿ lime, the interspecific recombination and the resulting diploid gamete structures combining a segregation analysis of SSR and SNPs markers, a cytogenetic study and pollen viability evaluation. We concluded that the doubled-diploid `Mexican¿ lime had a predominantly disomic segregation for three LGs, intermediate inheritance with disomic tendency was found for five LGs and intermediate models for one LG. The resulting interspecific diploid gamete structures displayed high C. medica / C. micrantha heterozygosity. The revealed genetic structures of the diploid gametes produced by the doubled-diploid `Mexican¿ lime are compatible with the hypothesis that `Tahiti¿ and `Tanepao¿ triploid varieties results from interploid hybridization involving a doubled-diploid `Mexican¿ like lime. This disomic tendency limits the recombination and the diversity of the diploid gamete population; however the observed pollen viability restoration at tetraploid level could be advantageous for intensive breeding projects. / Esta tesis estudia tres aspectos principales: (i) los mecanismos de la formación de gametos 2n de polen originados por un híbrido diploide (tangor `CSO¿) utilizado como parental masculino en hibridaciones sexuales 4x x 2x, (ii) las frecuencias y los mecanismos de la producción de gametos 2n femeninos en dos genotipos de limón, `Eureka Frost¿ y `Fino¿, y (iii) el análisis de la recombinación interespecífica y las estructuras de los gametos diploides originados por la lima `Mejicana¿ doble diploide para evaluar el origen de las las variedades triploides de lima C. latifolia (`Tahiti¿) y C. aurantifolia (`Tanepao¿). La obtención de 54 híbridos tetraploides a partir de hibridaciones 4x x 2x permitió analizar los mecanismos de la formación de gametos 2n de polen. El análisis molecular reveló que la mayoría de estas plantas se obtuvieron a partir de gametos 2n de polen del parental `CSO¿. A continuación, el análisis mediante el método de máxima verosimilitud indicó que FDR (Restitución de la Primera División meiótica) y SDR (Restitución de la Segunda División meiótica) son los mecanismos implicados con una mayor dominancia de FDR respecto SDR. Estos resultados se confirmaron mediante el análisis de la restitución de la heterocigosidad en el grupo de ligamiento (LG) 2. Con los datos publicados hasta la fecha, es la primera vez que se han obtenido progenies tetraploides de cítricos mediante gametos 2n de polen y es la primera descripción en cítricos de la coexistencia de dos mecanismos SDR y FDR. Para estudiar las frecuencias y los mecanismos de la producción de gametos 2n en dos genotipos de limón, se obtuvieron 43 híbridos triploides y tetraploides a partir de hibridaciones sexuales 2x x 2x y 2x x 4x utilizando los limones `Eureka Frost¿ y `Fino¿ como parentales femeninos. Las frecuencias de producción de gametos 2n fueron respectivamente 4,9% y 8,3%. El análisis de máxima verosimilitud y el patrón de PHR a lo largo del LG1 reveló que SDR es el mecanismo principal de formación de gametos 2n femeninos (88%), seguido por FDR o duplicación del genoma pre-meiosis (PRD) (7%) y se identificó un nuevo mecanismo originado a partir de la duplicación del genoma post-meiosis (PMD) (5%). En este trabajo se describe por primera vez en cítricos la producción de un elevado número de híbridos de limón a partir de gametos 2n y es la primera vez que se identifica un nuevo mecanismo PMD que nunca se ha observado en cítricos. En ambos estudios se demostró la efectividad del uso de dos métodos complementarios, el análisis del patrón de PHR a lo largo de un LG y el método de máxima verosimilitud para distinguir entre los diferentes mecanismos implicados en la formación de gametos 2n. También se ha analizado el modelo de segregación cromosómica de la lima `Mejicana¿ doble diploide (DD) así como la recombinación interespecífica y las estructuras de los gametos diploides resultantes. Se ha realizado análisis de la viabilidad del polen junto con un análisis citogenético y con marcadores SSRs y SNPs. Estos trabajos nos han permitido concluir que la lima `Mejicana¿ DD presenta una segregación predominantemente disómica para tres LGs, herencia intermedia con tendencia disómica para cinco LGs y un tipo de segregación intermedia para un LG. Las estructuras de los gametos diploides mostraron una alta heterocigosis en C. medica/C. micrantha, parentales de la lima `Mejicana¿. Las estructuras genéticas de los gametos diploides de la lima `Mejicana¿ DD son compatibles con la hipótesis de que las variedades triploides `Tahiti¿ y `Tanepao¿ se obtuvieran a partir de una hibridación interploide a partir de la lima `Mejicana¿ DD. El tipo de segregación disómico conlleva una limitación de la recombinación y la diversidad genética de la población de gametos 2n. Sin embargo la viabilidad del polen de la lima `Mejicana¿ DD en comparación con la lima `Mejicana¿ diploide permite / Aquesta tesi ha tingut com a objectius l'estudi de (i) els mecanismes subjacents a la formació de pol·len de gàmetes 2n al tangor híbrid diploide `CSO', utilitzat com a progenitor masculí en els programes de millora de triploides 4x x 2x (ii) les freqüències i els mecanismes implicats en la producció gàmetes 2n en la femella als genotips de llimona `Eureka Frost¿ i Fina' (iii) la recombinació interespecífica i les estructures resultants de gàmetes diploides del doble-diploide (DD) de `llima Mèxicana' per avaluar la possibilitat que la hibridació interploid natural potser l'origen de les varietats triploides C. latifolia (llima tipus `Tahiti') i C. aurantifolia (llima tipus `Tanepao'). La producció de 54 híbrids tetraploides obtinguts d¿hibridacions sexuals 4x x 2x va permetre l'anàlisi dels mecanismes de formació de gàmetes 2n de pol·len. Els marcadors moleculars SSR i SNP van revelar que la majoria d'aquestes plantes es van obtenir de pol·len 2n del parental diploide tangor. Llavors, el mètode de màxima probabilitat va revelar que tant FDR (Restitució en la Primera Divisió), amb ocurrència predominant, com SDR (Restitució en la Segona Divisió) van ser els mecanismes que condueixen a la formació de gàmetes masculins 2n en aquest tangor. Aquestes observacions van ser confirmades per l'anàlisi de patró de RHP al llarg del cromosoma 2. Des del nostre coneixement, aquest és el primer estudi de progènies de cítrics tetraploides derivats de pol·len no reduït i la primera descripció de la coexistència de dos mecanismes de restitució meiòtiques (FDR i SDR) produint pol·len no reduït en els cítrics. Per tal d'estudiar les freqüències i els mecanismes implicats en la producció de gàmetes 2n sense reduir de la femella, en dos genotips diferents de llimona, vam obtenir 43 híbrids triploides i tetraploides d¿hibridacions sexuals 2x x 2x i 4x x 2x utilitzant `Eureka Frost ' i `Fino' com progenitors femenins. Les freqüències de la producció de gàmetes 2n van ser, respectivament, 4,9% i 8,3%. L'anàlisi de màxima probabilitat i el patró de RHP al llarg del cromosoma 1 van revelar que SDR és el principal mecanisme de gàmetes 2n en la llimona utilitzada com parent femení (88%), seguit pels mecanismes FDR o duplicació pre-meiòtica (PRD) (7%) i la duplicació del genoma post-meiòtica (PMD) (5%). Per primera volta en els cítrics s¿ha obtingut un gran nombre de progènie de llimona a partir de gàmetes 2n i s¿ha identificat un nou mecanisme, el PMD que poques vegades s'ha descrit en altres espècies herbàcies o llenyoses. A través dels dos treballs, hem demostrat, a nivell metodològic, l'eficàcia d'utilitzar dos enfocaments complementaris, és a dir, l'anàlisi del patró de RHP en un cromosoma amb el mètode de màxima probabilitat basat en loci centromèrics per distingir entre els diferents mecanismes de la producció de gàmetes 2n . Es van analitzar els mecanismes meiòtics d'un DD `llima Mèxicana', la recombinació interespecífica i les estructures resultants de gàmetes diploides combinant una anàlisi de segregació de marcadors SSR i SNP, un estudi citogenètic i l'avaluació de la viabilitat del pol·len. Hem arribat a la conclusió que el DD de `llima Mèxicana' tenia una segregació predominantment disómica en tres cromosomes, herència intermèdia amb tendència disómica en cinc cromosomes i els models intermedis per a un altre. Les estructures resultants de gàmetes diploides interespecífiques mostren alta heterozigositat C. medica / C. micrantha. Les estructures genètiques revelades dels gàmetes diploides produïts pel DD de `llima Mèxicana' són compatibles amb la hipòtesi que les varietats triploides `Tahiti¿ i `Tanepao¿ resulten de la hibridació interploide que impliquen un DD de tipus `llima Mèxicana'. Aquesta tendència disómica limita la recombinació i la diversitat de la població de gàmetes diploides, però, la restauració de la viabilitat / Houssem, R. (2017). Genetic Structure of Diploid Gametes for the Production of Triploid Citrus Hybrids [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/90634 / Compendio
22

Roman auxiliary fort in Pojejena (Caraș-Severin County, Romania). The results of non-invasive and archival research (2017-2019)

Jęczmienowski, E., Pisz, Michał, Timoc, C. 22 November 2024 (has links)
Yes / A non-destructive survey conducted in 2017–2019 in the proximity of the auxiliary fort brought forth new data regarding the military base on the bank of the Danube, in the frontier zone between the Roman provinces of Moesia Superior and Dacia Inferior. It became clear that the previously acknowledged large stone fort was preceded by an unknown small earth-and-timber fort likely dated to the late 1st – early 2nd century. Analysis of the internal planning of the large fort, as well as the results of test trenching near the East Gate not only allowed to verify some geophysical results but also gave insight into the chronology of the large fort and contributed to the discussion of the changes to the fort’s garrison. The evidence shows that the base functioned until the 260s CE, and while the Roman military was probably present in the area at some point in the 4th century, it was a relatively short episode during an attempt to reconquer the Dacian riverbank.
23

Understanding the anomaly: reinterpreting Porolissum Roman town with emerging GPR and ER data

Alexandru Hegyi,, Pisz, Michal, Hegyi, A. 10 December 2024 (has links)
Yes / The Roman Porolissum (Romania) was first surveyed with magnetics in 2010. Local geology is propitious for magnetic prospection. In 2021 the Polish-Romanian team carried out a complementary ER and GPR survey. Emerging geophysical data allowed reinterpretation of the previous survey results. Complementary survey data and geological setting analysis yet enhanced the archaeological interpretation.
24

Římská stavební terakota v oblasti mezi Vindobonou a Brigetiem a v sousedních nadlimitních oblastech / Roman building terracottas between Vindobona and Brigetio and along Danubian Limes (1.-4. Century AD)

Janek, Tomáš January 2014 (has links)
This work deals with roman building terracotas in the area between Vindobona and Brigetio and along Danubian Limes. The first part describes manufacturing of roman bricks, inscriptions, marks and stamps which are used on them. Second part summarizes finds of roman bricks alongside roman buildings on limes romanus. In the third part is considered metodology of research, also there is a focus on Petrological analyses and support of computer software. In this section are tested new ways of comparing of brickstamps with the help of morphometry and accurate measuerment of the stamps. Last part focuses on production and distribution of building material mainly trough river roads. In the end I calculated needed ammount of building material along with the time of production and the time of transportation to the roman forts.
25

Římské tábory v Egyptě / Roman forts in Egypt

Šurinová, Miroslava January 2013 (has links)
This paper deals with roman fortifications in Egypt. The main emphasis is laid on roman fortresses on forts. Their descriptions are included in the first part of the paper. Another fortification's elements, history of roman province and mentions of forts in ancient writings, which put the forts in geographical and historical context, are described more shortly. The paper includes a brief part about roman navy too. In the second part of the paper the author tries to point out the functions of forts, development of fortification system, the architectural similarities between forts in Egypt and to find architectural parallels in other parts of Roman Empire.
26

Développement d'un instrument endodontique en alliage à mémoire de forme monocristallin cuivreux / Development of an endodontic instrument based on a single-crystal shape memory alloy

Vincent, Marin 03 February 2017 (has links)
De nombreuses avancées ont été réalisées en termes de géométries instrumentales, mouvements de travail et procédés de fabrication des limes endodontiques. Cependant, peu de recherches se sont tournées vers l’utilisation d’alliages à mémoire de forme (AMF) autres que le Nickel-Titane (NiTi). Ce travail se propose de développer un instrument endodontique constitué d’un nouvel AMF aux propriétés mécaniques et antimicrobiennes très prometteuses : le CuAlBe monocristallin. Après une première analyse par éléments finis des paramètres géométriques adéquats pour une lime endodontique en AMF monocristallin à base de CuAlBe, plusieurs prototypes ont été fabriqués puis testés en rotation continue selon un protocole de pénétration / retrait (P/R) dans des canaux artificiels. Des limes endodontiques en NiTi, déjà commercialisées, ont été également testées avec le même protocole. L’objectif de ces recherches était de montrer que les instruments endodontiques en CuAlBe monocristallin présentaient des performances mécaniques équivalentes à ceux en NiTi, en plus de leurs propriétés antimicrobiennes / Many advances have been made in terms of instrumental geometry, working motion and manufacturing processes of endodontic files. However, since the discovery of Nickel-Titanium (NiTi) shape memory alloys (SMA), few research has been carried out on new SMAs. In this context, this work aims to develop an endodontic instrument machined from a new SMA with very promising mechanical and antimicrobial properties: the single crystal CuAlBe. Following a finite element analysis in order to determine adequate geometric parameters for a single crystal CuAlBe SMA endodontic instrument, prototypes were machined and tested following a continuous rotation penetration / removal (P/R) protocol in artificial canals. Endodontic files made of NiTi SMA, already commercialized, were also tested with the same protocol. The aim of this researches is to show that CuAlBe endodontic instruments could lead equivalent mechanical performances to NiTi instruments in addition of their antimicrobial properties
27

Ein Mikro-Makro-Übergang für die nichtlineare atomare Kette mit Temperatur

Herrmann, Michael 19 October 2005 (has links)
Diese Arbeit betrachtet einen Mikro-Makro-Übergang für die atomare Kette mit Wechselwirkungen zwischen nächsten Nachbarn, deren Dynamik durch ein nichtlineares aber konvexes Wechselwirkungspotential und durch die Newtonschen Bewegungsgleichungen bestimmt ist. Um einen Mikro-Makro-Übergang zu etablieren, wählen wir eine geeignete Skalierung und lassen die Zahl der Teilchen gegen Unendlich laufen. Dabei steht der Fall mit Temperatur im Vordergrund, so dass auf der makroskopischen Skala mikroskopische Oszillationen beschrieben werden müssen. Nach einer Einführung werden im zweiten Kapitel die Grundlagen der atomaren Kette zusammengefasst, und die wesentlichen Probleme beim Mikro-Makro-Übergang mit Temperatur diskutiert. Dabei wird besonders auf die Skalierung, die mikroskopischen Anfangsdaten und die Beschreibung der mikroskopischen Oszillationen eingegangen. Im dritten Kapitel werden so genannte Traveling-Waves betrachtet: Das sind exakte, hochgradig symmetrische Lösungen der atomaren Kette, die generisch von vier Parametern abhängen, und die als Lösungen von Differenzen-Differentialgleichungen bestimmt werden. Im Einzelnen werden die Existenz von Traveling-Waves, ihre thermodynamischen Eigenschaften und ihre Approximierbarkeit untersucht. Im vierten Kapitel werden modulierte Traveling-Waves betrachtet, mit deren Hilfe dann makroskopische Modulationsgleichungen abgeleitet werden. Diese lassen sich als die Erhaltungssätze für Masse, Impuls, Wellenzahl und Entropie interpretieren. Anschließend wird das Rechtfertigungsproblem diskutiert und für einen Spezialfall auch gelöst. Im fünften Kapitel werden numerische Simulationen von Anfangswertproblemen, unter anderem Riemann--Probleme, ausführlich untersucht, wobei die Strukturuntersuchung der auftretenden mikroskopischen Oszillationen im Vordergrund steht. Es zeigt sich, dass die mikroskopischen Oszillationen in vielen Fällen durch modulierte Traveling-Waves beschrieben werden können. / The subject matter of this thesis is a micro-macro transition for the atomic chain with nearest neighbor interaction. The interaction potential is assumed to be nonlinear but convex, and the dynamics of the chain is governed by Newton''s law of motion. To establish the micro-macro transition we choose an appropriate scaling, and let the number of particles tend to infinity. We mainly concentrate on the case with temperature, and therefore we have to describe microscopic oscillations on the macroscopic scale. We start with an introduction in the first chapter. Afterwards in the second chapter we summarize the basics of the atomic chain, and discuss the most important problems concerning a micro-macro transition with temperature. In particular we emphasize the scaling, the microscopic initial data, and the description of the microscopic oscillations. In the third chapter we consider traveling waves: These are highly symmetric solutions of the atomic chain depending on four parameters, and they result as solutions of difference-differential equations. We study the existence of traveling waves, their thermodynamic properties, and we derive schemes for their approximation. The fourth chapter is devoted to modulated traveling waves, because they allow to derive macroscopic modulation equations. These modulation equations can be interpreted as the macroscopic conservations laws for mass, momentum, wave number and entropy. Afterwards we discuss the justification problem, which is moreover solved for a special example. Within the fifth chapter we investigate several numerical simulations of initial value problems for the atomic chain including some Riemann problems. We mainly focus on the structure of the resulting microscopic oscillations, and we will identify many situations in which the microscopic oscillations can be described in terms of modulated traveling waves.
28

On AdS/CFT correspondence beyond SUGRA / plane waves, free CFTs and double-trace deformations

Vázquez, Danilo Eduardo Díaz 17 December 2007 (has links)
Diese Arbeit beschäftigt sich mit drei Aspekten der AdS/CFT-Korrespondenz, die alle einen Schritt über die klassische SUGRA-Näherung hinausgehen. Zuerst diskutieren wir den BMN Grenzfall der Korrespondenz und untersuchen insbesondere das Verhalten der quantenfeldtheoretischen Propagatoren. Dabei weisen wir nach, dass die Propagatoren im für den BMN Fall relevanten Hintergrund ebener Wellen semiklassisch (WKB) exakt beschrieben werden. Danach wird im Rahmen der AdS/CFT-Korrespondenz der Grenzfall verschwindender Kopplung der konformen Feldtheorie betrachtet. Zur technischen Vereinfachung geschieht dies für das Beispiel des O(N)-Vektormodells. Dabei wird die OPE der Vierpunktfunktionen so umgeschrieben, dass sie strukturelle Ähnlichkeit mit Witten-Diagrammen einer korrespondierenden Theorie von Strömen mit höherem Spin hat. Außerdem wird das O(N)- Vektormodell bei großem N am wechselwirkenden Infrarot-Fixpunkt untersucht. Im letzten Punkt wenden wir uns schließlich der ursprünglichen AdS/CFTDualität unter Mitnahme der nächstführenden Ordnung der 1/N-Entwicklung zu. Für die Deformationen der CFT durch relevante Doppelspur-Operatoren finden wir bei Zustandssummen und konformen Anomalien exakte Übereinstimmung zwischen direkter und AdS-seitiger indirekter Rechnung. Damit wird ein nicht trivialer Test der Korrespondenz über die SUGRA-Näherung hinaus erbracht. / This thesis deals with three corners of the AdS/CFT Correspondence that lie one step beyond the classical supergravity (SUGRA) approximation. We first explore the BMN limit of the duality and study, in particular, the behavior of field theoretic propagators in the corresponding Penrose limit. We unravel the semiclassical (WKB-) exactness of the propagators in the resulting plane wave background metric. Then, we address the limit of vanishing coupling of the conformal field theory (CFT) at large N. In the simplified scenario of Higher Spin/O(N) Vector Model duality, the conformal partial wave (CPW) expansion of scalar four-point functions are reorganized to make them suggestive of a bulk interpretation in term of a consistent truncated massless higher spin theory and their corresponding exchange Witten graphs. We also explore the connection to the interacting O(N) Vector Model at its infra-red fixed point, at leading large N. Finally, coming back to the gauge theory, we study the effect of a relevant double-trace deformations of the boundary CFT on the partition function and its dual bulk interpretation. We show how the one-loop computation in the Anti-de Sitter (AdS) space correctly reproduces the partition function and conformal anomaly of the boundary theory. In all, we get a clean test of the duality beyond the classical SUGRA approximation in the AdS bulk and at the corresponding next-to-leading 1/N order of the CFT at the conformal boundary.
29

Basis set and system size convergence of Equation-of-motion coupled-cluster band gaps for extended systems

Moerman, Evgeny 03 February 2025 (has links)
Diese Dissertation beschreibt einen Fortschritt in der Vorhersage elektronischer Materialeigenschaften durch quantenchemische Methoden höherer Ordnung, mit Fokus auf der Berechnung elektronischer Bandlücken innerhalb des FHI-aims-Softwarepakets. Im Rahmen dieser Arbeit werden Coupled-Cluster-Methoden durch eine neue Schnittstelle zwischen FHI-aims und dem Coupled cluster for solids (Cc4s) Code implementiert. Dabei werden zwei zentrale Herausforderungen in Equation-of-Motion-Coupled-Cluster-Rechnungen mit Einfach- und Zweifachanregungen diskutiert: Konvergenz im Bezug auf den Basissatz und auf die Systemgröße. Für die Untersuchung der Basissatzunvollständigkeit werden numerische atomzentrierte Funktionen verwendet und Extrapolationstechniken unter Verwendung von valenz-korrelationskonsistenter Basissätze untersucht. Für Effekte endlicher Systemgröße wird der Equation-of-Motion-Coupled-Cluster-Strukturfaktor hergeleitet, um die Konvergenz der elektronischen Korrelation im langreichweitigen Limes zu analysieren, wobei Konvergenzraten für Ionisationspotentiale und Elektronenaffinitäten in verschiedenen Dimensionen hergeleitet werden. Die Arbeit identifiziert einen Zusammenhang zwischen der Konvergenz der Bandlücke der Equation-of-Motion-Coupled-Cluster- und der G0W0-Methode, was eine GW-gestützte Abschätzung verbleibender systemgrößenbedingter Fehler ermöglicht. Diese Methodik wird durch Bandlückenberechnungen für Materialien wie Diamant, Borphosphid, Lithiumhydrid und Magnesiumoxid validiert, wobei für einige Materialien eine verbesserte Genauigkeit nachgewiesen wird, während verbleibende Herausforderungen für Isolatoren mit großer Bandlücke identifiziert werden. / This thesis advances the prediction of electronic properties in materials through high-level quantum chemistry methods, focusing on electronic band gap calculations within the FHI-aims software package. The work implements coupled-cluster methods through a new interface between FHI-aims and the Coupled cluster for solids (Cc4s) code. The research addresses two primary challenges in equation-of-motion coupled-cluster calculations with single and double excitations: basis set convergence and system size convergence. For basis set incompleteness, the study evaluates numeric atom-centered functions and explores extrapolation techniques using valence-correlation consistent basis sets. For finite-size effects, the equation-of-motion coupled-cluster structure factor is derived to analyze electronic correlation convergence in the long-range limit, establishing convergence rates for ionization potentials and electron affinities across different dimensions. The work identifies a correlation between finite-size convergence in equation-of-motion coupled-cluster and G0W0 methods, enabling GW-aided estimation of remaining finite-size errors. The methodology is validated through band gap calculations for materials including diamond, boron phosphide, lithium hydride, and magnesium oxide, demonstrating improved accuracy for some materials while identifying persistent challenges for wide-gap insulators.
30

De brignatium à gesoriacum : les amers, les navires et les ports en mare externum sous l'empire Romain / From Brigantium to Gesoriacum : the Landmarks, the Boats and the Harbours in Mare Externum under the Roman Empire

Delacroix, Barbara 08 December 2016 (has links)
La navigation sur l’arc atlantique à l’époque romaine est un sujet immense qui pâtit encore trop souvent de l’avis sceptique de chercheurs obnubilés par la Méditerranée. Il a donc fallu détricoter le mythe de l’océan infranchissable par l’étude approfondie des éléments interdépendants constitutifs de la navigation fluvio-maritime et moteurs de l’économie de l’arc atlantique, à savoir : l’amer, le navire et le port. Aussi l’étude de l’organisation du commerce atlantique sur les voies fluviales et maritimes, de La Corogne à Boulogne-sur-Mer, a-t-elle abouti à l’établissement d’une typologie « atlantique » tripartite. / Navigation in the Atlantic arc – enlarged to the English Channel and the North Sea – in Roman period, is a vast topic that, too often, still suffers from the sceptical opinion of researchers obsessed with the Mediterranean. It has been necessary to unravel the myth of the impassable Ocean, by means of a deep study of the mutually dependent elements forming the maritime and fluvial navigation and driving force of the Atlantic arc economy: the landmark, the vessel and the harbour. Moreover, the study of the organization of the Atlantic trade through the maritime and fluvial routes, from A Coruña to Boulogne-sur-Mer, have result in the establishment of a three-party ‘Atlantic’ typology.

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