Optical response of an active medium can substantially be modified when coherent superpositions of states are excited, that is, when systems display quantum coherence and interference. This has led to fascinating applications in atomic and molecular systems. Examples include coherent population trapping, lasing without inversion, electromagnetically induced transparency, cooperative spontaneous emission, and quantum entanglement. We study quantum coherence effects in several quantum optical systems and find interesting applications. We show that quantum coherence can lead to transient Raman lasing and lasing without inversion in short wavelength spectral regions--extreme ultraviolet and x-ray--without the requirement of incoherent pumping. For example, we demonstrate transient Raman lasing at 58.4 nm in Helium atom and transient lasing without inversion at 6.1 nm in Helium-like Boron (triply-ionized Boron). We also investigate dynamical properties of a collective superradiant state prepared by absorption of a single photon when the size of the sample is larger than the radiation wavelength. We show that for large number of atoms such a state, to a good approximation, decays exponentially with a rate proportional to the number of atoms. We also find that the collective frequency shift resulting from repeated emission and reabsorption of short-lived virtual photons is proportional to the number of species in the sample. Furthermore, we examine how a position-dependent excitation phase affects the evolution of entanglement between two dipole-coupled qubits. It turns out that the coherence induced by position-dependent excitation phase slows down the otherwise fast decay of the two-qubit entanglement. We also show that it is possible to entangle two spatially separated and uncoupled qubits via interaction with correlated photons in a cavity quantum electrodynamics setup. Finally, we analyze how quantum coherence can be used to generate continuous-variable entanglement in quantum-beat lasers in steady state and propose possible implementation in quantum lithography.

In this thesis, we investigated several photoelectric material systems consisted of conjugated polymers by means of computer simulation. We combined several theory and simulation methods to meodeling different subjects from atomic to mesoscopic scale. We dealt with the problems such as quantum efficiency, structure characteristic, and the phase behavior in material. We hope to have better understanding of the relationship between structure characteristic and functional property in material. It will help an engineering designer to adjust the variables that optimize characteristics linking the synthesis of advanced materials with desired physical properties. This work can be divided into three parts. Long side chain substituted PPV polymers applied in light-emitting diode material : Molecular dynamics simulations were employed to investigate structure features and segment orientation of four poly(phenylene vinylene) (PPV)-like conjugated polymers with long flexible side chains at room temperature. In the simulations, the main chains of the polymers were found to be semi-rigid and to exhibit a tendency to coil into ellipsoidal helices or form zigzag conformations of only limited regularity. It was shown that continuous segments of a chain which are quasi-coplanar along the backbone are in a range of 2~4 repeat units. This implies that long-range electron transfer along same backbones of these polymers may not happen but may be mediated by interchain interactions. The ordered orientation and coupling distance of interchain aromatic rings are found to correlate with important optical properties of materials. Then we combined molecular dynamics simulation and density matrix methods modeling of amorphous light-emitting polymers. A simplified method combining molecular dynamics (MD) simulation and density matrix (DM) theory was developed for the prediction of optical properties of long side chain substituted poly(phenylene vinylene) (PPV) polymers. This MD+DM method takes account of the complexity of molecular packing of polymer chains. The method has been tested to simulate the absorption spectra of four model systems. The wavelengths of absorption maxima of the calculated spectra of these four conjugated polymers are in reasonable agreement with experimental data. The simulation also demonstrated that the importance of including interchain interactions in the calculation. Ion-conducting polymer sPBI-PS(Li+): To understand the mechanism of ionic migration in the amorphous matrixes of polymer electrolytes is crucial for their applications in modern technologies. Here, molecular dynamics (MD) simulation was carried out to investigate the ionic conduction mechanism of a particular conjugated rigid-rod polymer, sPBI-PS(Li+). The backbone of this polymer is poly[(1, 7- dihydrobenzo[1, 2-d:4,5-d¡¦]diimidazole- 2,6-diyl)-2-(2-sulfo)-p-phenylene]. The polymer has pendants of propane sulfonate Li+ ionomer. The MD simulations showed that the main chains of sPBI-PS(Li+) are in layer-like structure. The further detailed structure analysis suggested that the £k-electron of this polymer is not delocalized among aromatic rings. This agrees with the experimental result that sPBI-PS(Li+) shows no electronic conductivity and the conductivity of this polymer is mainly ionic. The calculated migration channels of lithium ions and electrostatic potential distributions indicated clearly that the polymer matrix is anisotropic for the migrations of ions. The migration of lithium ions along the longitudinal direction is more preferable than that along the transverse direction. The relaxations of the polymer host were found to play important roles in the transfer process of lithium ions. The hopping of lithium ion from one -SO3-1 group to another is correlated strongly with characteristic motions of -SO3-1 group on a time scale of about 10-13 s. Self-assembly functional material. Dissipative particle dynamics (DPD) simulations were carried out to investigate mixed ionic and non-ionic molecules, sodium tetradecyl sulfate (STS) and tetradecyl triethoxylated ether (C14E3) aqueous system. Different types of mixed micelles are formed depending on the concentrations of STS and C14E3. Our results are in good agreement to the early NMR measurements. From the investigation of surfactant aggregation, we understand the self-assembly mechanism and classical phase behavior in general diblock copolymer. Further, we investigated the self-assembly process on a particular mushroom-shaped supramolecular film material from molecular character to phase behavior. The miniaturized rod-coil triblock copolymers (PS-PI-RCBC) HEMME had been found to self-assemble into well-ordered nanostructures and unusual head to tail multilayer structure. The purpose of our study is to obtain fundamental understanding the connection of the inherent morphological characterization of single molecule and the mechanism of phase behavior of this polar self-assembly system. Dissipative particle dynamics simulation was carried out to study the mechanism of phase behavior of the solvent-copolymers system. We found that the solvent-induced polar effect under different temperature is important in the process of self-assembly of block copolymers. In different temperature the solvent induces hybrid structure aggregation. Our results are consistent with experimental observations and give evidence for a special mechanism governing the unusual phase behavior in thin films of modulated phases. The sizes and stabilization energies of mushroom-shaped supramolecular clusters were predicted by molecular modeling method. Clusters of sizes from 16 to 90 molecules were found to be stable. In combination of classical and simple quantum mechanical calculations, the band gaps of HEMME clusters with various sizes were estimated. The band gap was converged at 2.45 eV for cluster contains 90 molecules. Nonlinear optical properties of the material were investigated by the semi-empirical quantum mechanical calculations of molecular dipole moment and hyperpolarizabilities. Significant second-order nonlinear optical properties were shown from these calculated properties.

The studies in this dissertation mainly utilize planar antennas for ultra-wideband antenna designs not only on the investigation of antenna performance but also towards exploiting attractive features of ultra-wideband antennas for practical applications, such as WMAN access-point antennas, omnidirectional WiMAX access-point antennas, band-notched UWB (Ultra-wideband, 3.1 ~ 10.6 GHz) antennas, and so on. To begin with, the effects of the ground-plane size and the asymmetrical ground plane on ultra-wideband antennas are studied in Chapter 2. Following up, from the conclusive results, an antenna for WMAN operation in access-point applications and an omnidirectional monopole for USB wireless network card device are proposed and analyzed. Characteristics of ultra-wideband antenna radiation in relation to the antenna's width for obtaining omnidirectional radiation are addressed. In Chapter 3, several ultra-wideband access-point antennas are presented for achieving good omnidirectional radiation in the azimuthal plane across the bandwidth. Furthermore, in Chapter 4, band-notching techniques are applied to ultra-wideband antennas for avoiding the interference between the UWB and the WLAN systems.

The author of this thesis concentrates his attention on quantum optical properties of some artificial electromagnetic media, such as quantum coherent atomic vapors (various multilevel electromagnetically induced transparency vapors) and negative refractive index materials, and suggests some possible ways to manipulate wave propagations inside the artificial electromagnetic materials based on quantum coherence and quantum vacuum effects. In Chapters 1 and 2, the author reviews the previous papers on quantum coherence as well as the relevant work such as electromagnetically induced transparency (EIT), atomic population trapping and their various applications. The basic concepts of quantum coherence (atomic phase coherence, quantum interferences within atomic energy levels) and quantum vacuum are introduced, and the theoretical formulations for treating wave propagations in quantum coherent media are presented. In Chapter 3, the author considers three topics on the manipulation of light propagations via quantum coherence and quantum interferences: i) the evolutional optical behaviors (turn-on dynamics) of a four-level N-configuration atomic system is studied and the tunable optical behavior that depends on the intensity ratio of the signal field to the control field is considered. Some typical photonic logic gates (e.g. NOT and NOR gates) are designed based on the tunable four-level optical responses of the N-configuration atomic system; ii) the destructive and constructive quantum interferences between two control transitions (driven by the control fields) in a tripod-type four-level system is suggested. The double-control quantum interferences can be utilized to realize some photonic devices such as the logic-gate devices, e.g., NOT, OR, NOR and EXNOR gates; iii) some new quantum coherent schemes (using EIT and dressed-state mixed-parity transitions) for realizing negative refractive indices are proposed. The most remarkable characteristic (and advantage) of the present scenarios is such that the isotropic left-handed media (with microscopic structure units at the atomic level) in the optical frequency band can be achieved. Quantum vacuum (the ground state of quantized fields) can exhibit many interesting effects. In Chapter 4, we investigate two quantum-vacuum effects in artificial materials: i) the anisotropic distribution of quantum-vacuum momentum density in a moving electromagnetic medium; ii) the angular momentum transfer between quantum vacuum and anisotropic medium. Such quantum-vacuum macroscopic mechanical effects could be detected by current technology, e.g., the so-called fiber optical sensor that can measure motion with nanoscale sensitivity. We expect that these vacuum effects could be utilized to develop sensitive sensor techniques or to design new quantum optical and photonic devices.In Chapter 5, the author suggests some interesting effects due to the combination of quantum coherence and quantum vacuum, i.e., the quantum coherent effects, in which the quantum-vacuum fluctuation field is involved. Two topics are addressed: i) spontaneous emission inhibition due to quantum interference in a three-level system; ii) quantum light-induced guiding potentials for coherent manipulation of atomic matter waves (containing multilevel atoms). These quantum guiding potentials could be utilized to cool and trap atoms, and may be used for the development of new techniques of atom fibers and atom chips, where the coherent manipulation of atomic matter waves is needed.In Chapter 6, we conclude this thesis with some remarks, briefly discuss new work that deserves further consideration in the future, and present a guide to the previously published papers by us. / QC 20100810

Nous investiguons dans ce travail la dynamique des excitons dans une couche mince d’agrégats H autoassemblés hélicoïdaux de molécules de sexithiophène. Le couplage intermoléculaire (J=100 meV) place ce matériau dans la catégorie des semi-conducteurs à couplage de type intermédiaire. Le désordre énergétique et la forte interaction électronsphonons causent une forte localisation des excitons. Les espèces initiales se ramifient en deux états distincts : un état d’excitons autopiégés (rendement de 95 %) et un état à transfert de charge (rendement de 5%). À température de la pièce (293K), les processus de sauts intermoléculaires sont activés et l’anisotropie de la fluorescence décroît rapidement à zéro en 5 ns. À basse température (14K), les processus de sauts sont gelés. Pour caractériser la dynamique de diffusion des espèces, une expérience d’anisotropie de fluorescence a été effectuée. Celle-ci consiste à mesurer la différence entre la photoluminescence polarisée parallèlement au laser excitateur et celle polarisée perpendiculairement, en fonction du temps. Cette mesure nous donne de l’information sur la dépolarisation des excitons, qui est directement reliée à leur diffusion dans la structure supramoléculaire. On mesure une anisotropie de 0,1 après 20 ns qui perdure jusqu’à 50ns. Les états à transfert de charge causent une remontée de l’anisotropie vers une valeur de 0,15 sur une plage temporelle allant de 50 ns jusqu’à 210 ns (période entre les impulsions laser). Ces résultats démontrent que la localisation des porteurs est très grande à 14K, et qu’elle est supérieure pour les espèces à transfert de charge. Un modèle numérique simple d’équations différentielles à temps de vie radiatif et de dépolarisation constants permet de reproduire les données expérimentales. Ce modèle a toutefois ses limitations, notamment en ce qui a trait aux mécanismes de dépolarisation des excitons. / In this work, we investigate exciton dynamics in a thin film of sexithiophene molecules in self-assembled chiral H-aggregate supramolecular stacks. The intermolecular coupling energy J=100 meV places those molecules in the intermediate coupling regime. The energetic disorder and the strong phonon-electron interactions leads to high localization of the photoexcitations. The initial photoexcited species branches into two distinct states : self-trapped exciton (95% yield) and charge-transfer excitons (5% yield). At room temperature (293K), the intermolecular hopping processes are thermaly activated and the fluorescence anisotropy goes to zero within 5 ns. At low temperature (14K), hopping processes are frozen. To characterize exciton diffusion mechanisms, a fluorescence anisotropy experiment has been done. This measurement consists of monitoring the difference between the parallel and perpendicular composants of the photoluminescence (with respect to the laser beam), as a function of time. The fluorescence anisotropy gives us information about the depolarization of the excitons, which is directly connected with their diffusion within the supramolecular stack. We measure an anisotropy of 0,1 after 20 ns which stays constant for 50 ns. Chargetransfer states induce a rise of the anisotropy up to 0,15 between 50 ns and 210 ns (the period between adjacent laser pulses). Those measurements shows that exciton localization is very strong at 14K and higher for the charge-transfer states than the self-trapped ones. A simple mathematical model based on the resolution of a system of differential equations with constants radiative and depolarization lifetimes can reproduce the experimental data. This model has some limitations, especially for the description of the depolarization mechanisms of the self-trapped excitons.

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Title: Excitation of molecules by cold electrons Author: Miroslav Šulc Department / Institute: Institute of Theoretical Physics, Charles University in Prague Supervisor of the doctoral thesis: prof. RNDr. Jiří Horáček, DrSc., Institute of Theoretical Physics, Charles University Abstract: Several methods for low energy collisional processes are investigated. In the first part, attention is especially devoted to examination of applicability of the R-matrix method combined with the Schwinger-Lanczos (SL) variational principle for potential scattering with long-range forces. Next sections deal with the development of the interaction correlation-polarization (CP) potential in the framework of the Dis- crete Momentum Representation (DMR) method on the grounds of the Local Density Approximation in the Density Functional Theory (DFT) context. Obtained results are then utilized in body-frame (BF), static exchange + polarization (SEP), calcula- tions within an analysis of experimental data for e−-N2 scattering comprising a part of a larger project addressing theoretical examination of rotational excitations of small molecules in the gas phase induced by electron impact. For N2, a new phenomenon consisting in suppression of backward cross-section below 95 meV is observed and con- sequently attributed to...

Le travail présenté porte sur l'analyse et l'interprétation théorique du spectre d'absorption du dioxyde de carbone dans le proche infrarouge: spectroscopie d'absorption ultrasensible et modélisation théorique des positions et intensités des raies d'absorption. Ce travail vise à affiner et étendre l'ensemble des paramètres des opérateurs effectifs nécessaires à la génération des listes de raies pour les bases de données spectroscopiques. Les résultats obtenus peuvent être divisés en trois parties.Dans la première partie, nous avons établi les équations relatives aux paramètres q0 J, qJ, q2J and q3J-types des éléments de matrice de l'opérateur moment dipolaire effectif en fonction des dérivées du moment dipolaire et des constantes de force obtenues par transformation de contact pour les isotopologues: 16O12C18O, 16O12C17O, 16O13C18O, 16O13C17O, 17O12C18O. En utilisant ces équations et les relations isotopiques obtenues pour les constantes moléculaires, des calculs numériques nous ont permis de dériver les paramètres effectifs du moment dipolaire des séries de transitions ∆P= 0, 2, 4, 6 et 8, pour les six isotopologues asymétriques ci-dessus. La comparaison des paramètres rapportés dans la littérature et obtenus dans ce travail a été effectuée et discutée.La deuxième partie est consacrée à l'analyse du spectre d'absorption du dioxyde de carbone hautement enrichi en 18O, enregistré avec une très grande sensibilité par spectroscopie CW-Cavity Ring Down Spectroscopy entre 5851 et 6990 cm-1 (1.71-1.43 µm). Au total, 19526 transitions appartenant à onze isotopologues (12C16O2, 13C16O2, 16O12C18O, 16O12C17O, 16O13C18O, 16O13C17O, 12C18O2, 17O12C18O, 12C17O2, 13C18O2 et 17O13C18O) ont été attribuées sur la base des prévisions du modèle de l'Hamiltonien effectif. Toutes les bandes identifiées correspondent aux séries de transitions ∆P= 8, 9 et 10, où P=2V1+V2+3V3 est le nombre de polyade (V1,V2,V3 sont les nombres quantiques vibrationnels). Les intensités des transitions les plus faibles sont de l'ordre de 2×10-29 cm/molécule. Les paramètres spectroscopiques précis de 211 bandes appartenant à neuf isotopologues ont été calculés. Au total, neuf perturbations de résonance de la structure rotationnelle de l'état supérieur ont été observées et identifiées pour les isotopologues 16O12C18O, 12C18O2, 13C18O2, 16O13C18O, 16O12C17O et 17O12C18O. Un nouvel ensemble de paramètres du Hamiltonien effectif a été obtenu par un ajustement global de nos données et de l'ensemble des données de la littérature. En utilisant une approche similaire, les ajustements globaux des intensités obtenues pour les transitions des séries ∆P= 8, 9 and 10 ont permis d'obtenir l'ensemble de paramètres effectifs du moment dipolaire.Dans la troisième partie, nous présentons l'analyse du spectre CW-CRDS du dioxyde de carbone naturel entre 7909 et 8370 cm-1 (1.26-1.19 µm). Au total, 3425 transitions appartenant à 61 bandes de six isotopologues - 12C16O2, 13C16O2, 16O12C18O, 16O12C17O, 16O13C18O et 16O13C17O- ont été attribuées. Dans la région spectrale étudiée, toutes les bandes appartiennent à la série ∆P=11. Les paramètres spectroscopiques précis des états supérieurs de 57 bandes ont été obtenus à partir d'un ajustement des positions mesurées (rms typiques des écarts de l'ordre de 0.6×10-3 cm-1). Les ajustements globaux des intensités obtenues ont permis de déterminer les paramètres effectifs du moment dipolaire de la série ∆P=11 des six isotopologues étudiés.Les résultats obtenus ont eu un grand impact sur la modélisation globale des spectres de du dioxyde de carbone. Ils ont permis d'affiner et d'étendre les mesures existantes et d'améliorer considérablement les paramètres de l'Hamiltonien et moment dipolaire effectifs. Les résultats obtenus ont d'ores et déjà été intégrés dans les bases de données spectroscopiques de CO2 les plus couramment utilisées (HITRAN, GEISA, CDSD). / This thesis is devoted to the investigation of the high resolution near infrared spectra of carbon dioxide and includes experimental measurements and theoretical modeling of line positions and intensities and refinement and extension of the set of effective operator parameters. The obtained results can be divided by three parts:In the first part, we present the equations for the q0 J, qJ, q2J and q3J-types parameters of the matrix elements of the effective dipole-moment operator in terms of the dipole-moment derivatives and force field constants derived by means of contact transformation method for the following carbon dioxide isotopologues: 16O12C18O, 16O12C17O, 16O13C18O, 16O13C17O, 17O12C18O and 17O13C18O. Using these equations and the obtained isotopic relations for the molecular constants, we derived the effective dipole-moment parameters for the ∆P= 0, 2, 4, 6 and 8 series of transitions of the six above asymmetric carbon dioxide isotopologues (P=2V1+V2+3V3 is the polyad number where V1,V2 and V3 are the vibrational quantum numbers). The comparison of the parameters reported in the literature and obtained in this work is performed and discussed.The second part is devoted to the analysis of the room temperature absorption spectrum of highly 18O enriched carbon dioxide recorded by very high sensitivity CW-Cavity Ring Down Spectroscopy between 5851 and 6990 cm-1 (1.71-1.43 µm ). Overall, 19526 transitions belonging to eleven isotopologues (12C16O2, 13C16O2, 16O12C18O, 16O12C17O, 16O13C18O, 16O13C17O, 12C18O2, 17O12C18O, 12C17O2, 13C18O2 and 17O13C18O) were assigned on the basis of the predictions of the effective Hamiltonian model. Line intensities of the weakest transitions are on the order of 2×10-29 cm/molecule. The line positions were determined with accuracy better than 1×10-3 cm-1 while the absolute line intensities are reported with an uncertainty better than 10%. All the identified bands correspond to the ∆P= 8, 9 and 10 series of transitions. The accurate spectroscopic parameters for a total of 211 bands belonging to nine isotopologues were derived. Nine resonance perturbations of the upper state rotational structure were identified for 16O12C18O, 12C18O2, 13C18O2, 16O13C18O, 16O12C17O and 17O12C18O isotopologues. New sets of Hamiltonian parameters have been obtained by the global modeling of the line positions within the effective Hamiltonian approach. Using a similar approach, the global fits of the obtained intensity values of the ∆P= 8, 9 and 10 series of transitions were used to derive the corresponding set of effective dipole moment parameters.In the third part, we report the analysis of the absorption spectrum of natural carbon dioxide by high sensitivity CW-Cavity Ring Down spectroscopy between 7909 and 8370 cm-1 (1.26-1.19 µm). Overall, 3425 transitions belonging to 61 bands of 12C16O2, 13C16O2, 16O12C18O, 16O12C17O, 16O13C18O and 16O13C17O were assigned. In the studied spectral region, all bands correspond to ∆P= 11 series of transitions. The accurate spectroscopic parameters of the upper states of 57 bands were derived from a fit of the measured line positions (typical rms deviations of about 0.6×10-3 cm-1). The global fits of the obtained intensity values of the ∆P= 11 series of transitions were used to determine the corresponding set of effective dipole moment parameters of the six studied isotopologues.The large set of new observations obtained in this thesis has an important impact on the global modeling of high resolution spectra of carbon dioxide. It has allowed refining and extending the sets of effective dipole moment and effective Hamiltonian parameters. The obtained results have allowed improving importantly the quality of the line positions and intensities in the most currently used spectroscopic databases of carbon dioxide (HITRAN, GEISA, CDSD).

O principal tema desenvolvido nesta tese é o estudo de efeitos nucleares na produção de diléptons por meio do processo Drell–Yan para energias compatíveis com as de RHIC e de LHC. Dois modelos são usados: o formalismo de dipolos de cor e o modelo de pártons com momentum transversal intrínseco. No primeiro capítulo, uma breve introdução histórica e a motivação para o estudo são apresentadas. No Cap. 2, o espalhamento profundamente inelástico (EPI) no modelo de pártons é revisado e são discutidas as distribuições partônicas de prótons (CTEQ) e de nucleons (EKS, EPS08 e EPS09). O EPI no formalismo de dipolos também é discutido. O Cap. 3 é dedicado ao embasamento teórico do formalismo de dipolos e ao estudo das seção de choque de dipolos. As principais equações que governam a evolução de dipolos são expostas, seguidas pelas parametrizações fenomenológicas GBW, DHJ, BUWe ABGS. Um novo modelo é proposto: a parametrização AGBS com flutuações. Quando ajustada aos dados de HERA, a nova parametrização não difere da antiga AGBS, indicando que flutuações não são necessárias para descrever os dados de EPI nas presentes energias. No Cap. 4, é apresentado o modelo de pártons no processo Drell–Yan. O formalismo é discutido em ordem dominante, em ordem seguinte à dominante (OSD) e em OSD com momentum transversal intrínseco, já que apenas na última possibilidade o momentum transversal do dilépton pode ser gerado de maneira consistente com os experimentos. Posteriormente, o formalismo de dipolos aplicado ao mesmo processo é debatido, que em ordem dominante possui distribuição em momentum transversal consistente com os experimentos. Os resultados são cálculos para o fator de modificação nuclear (RpA) para rapidezes negativas como função de rapidez e momentum transversal. A aplicação para rapidezes negativas do formalismo de dipolos é uma contribuição original, bem como a comparação deste formalismo com o modelo de pártons com momentum transversal intrínseco. Efeitos de grande (efeito EMC e anti-sombreamento) e de pequeno x (sombreamento) são observados. Mostra-se que o momentum transversal intrínseco é particularmente importante, alterando o fator de modificação nuclear em torno de 10%. Quando as diferentes parametrizações da seção de choque de dipolos são comparadas, a produção de diléptons não apresenta variações significativas, indicando que ela não é sensível aos detalhes das parametrizações, como a possível violação de escalamento geométrico presente na parametrização DHJ. Adicionalmente, os resultados do modelo de pártons são estendidos para rapidezes positivas e comparados com resultados do condensado de vidros de cor. Para energias de RHIC, os formalismos concordam, enquanto que para LHC, a menos que a parametrização nuclear tenha um sombreamento muito forte (caso da EPS08), os formalismos discordam, devido aos comportamentos distintos do sombreamento de glúons e do sombreamento de quarks. Como perspectiva, é discutido o modelo unidimensional, que é uma simplificação drástica da evolução de dipolos sem deixar de incluir os efeitos de flutuações. Em particular, as possibilidades de escalamento geométrico e escalamento difusivo nas seções de choque são discutidas. / The main topic of this thesis is the study of nuclear effects in Drell–Yan dilepton production at RHIC and LHC energies. Two approaches are employed: the color dipole approach and the parton model with intrinsic transverse momentum. In the first chapter, a brief introduction and the motivation to the study are presented. Chapt. 2 reviews the deep inelastic scattering (DIS) in the parton model and the parton distribution functions of protons (CTEQ) and of nucleons (EKS, EPS08 e EPS09) are examinated. The DIS in the dipole frame is also discussed. Chapt. 3 reviews the theoretical foundations of the color dipole approach and the dipole cross section. The main equations that drive the dipole evolution are shown, followed by the phenomenological parameterizations GBW, DHJ, BUW, and ABGS. A new model is proposed: the AGBS parameterization with fluctuations. When fitted to HERA data, the new parameterization does not differ from the old AGBS, indicating that fluctuations are not needed to reproduce DIS data at current energies. Chapt. 4 discusses the parton model in the Drell–Yan process. This approach is considered at leading order, at next-to-leading order (NLO), and at NLO with intrinsic transverse momentum, as only in the last case the dilepton transverse momentum distribution can be obtained in agreement with experiments. Afterwards, the color dipole approach applied to the process is examined, giving at leading order a transverse momentum distribution compatible with experiments. The results are calculations to the nuclear modification factor (RpA) at backward rapidities as function of rapidity and transverse momentum. The use of backward rapidities of the color dipole approach is an original contribution, as well as the comparison of this approach with the parton model with intrinsic transverse momentum. Effects of large (EMC effect and antishadowing) and of small x (shadowing) are seen. It is shown that the intrinsic transverse momentum is particularly important, changing the nuclear modification factor of about 10%. When different parameterizations of the dipole cross section are compared, the dilepton production does not show significant discrepancies, suggesting the it is not sensitive to the parametrization details, such as the possibility of geometric scaling breaking present in DHJ parameterization. Furthermore, the parton model results are extended to forward rapidities and compared with results of the color glass condensate. At RHIC energies, the approaches agree, while at LHC energies, unless the nuclear parameterization shows a very strong nuclear shadowing (EPS08 case), the approaches disagree, due to the different behaviors of gluon shadowing and quark shadowing. The unidimensional model, a toy model of the dipole evolution that includes the fluctuation effects is also investigated. Specificaly, the possibilities of geometric scaling and difusive scaling in cross sections are discussed.

O principal tema desenvolvido nesta tese é o estudo de efeitos nucleares na produção de diléptons por meio do processo Drell–Yan para energias compatíveis com as de RHIC e de LHC. Dois modelos são usados: o formalismo de dipolos de cor e o modelo de pártons com momentum transversal intrínseco. No primeiro capítulo, uma breve introdução histórica e a motivação para o estudo são apresentadas. No Cap. 2, o espalhamento profundamente inelástico (EPI) no modelo de pártons é revisado e são discutidas as distribuições partônicas de prótons (CTEQ) e de nucleons (EKS, EPS08 e EPS09). O EPI no formalismo de dipolos também é discutido. O Cap. 3 é dedicado ao embasamento teórico do formalismo de dipolos e ao estudo das seção de choque de dipolos. As principais equações que governam a evolução de dipolos são expostas, seguidas pelas parametrizações fenomenológicas GBW, DHJ, BUWe ABGS. Um novo modelo é proposto: a parametrização AGBS com flutuações. Quando ajustada aos dados de HERA, a nova parametrização não difere da antiga AGBS, indicando que flutuações não são necessárias para descrever os dados de EPI nas presentes energias. No Cap. 4, é apresentado o modelo de pártons no processo Drell–Yan. O formalismo é discutido em ordem dominante, em ordem seguinte à dominante (OSD) e em OSD com momentum transversal intrínseco, já que apenas na última possibilidade o momentum transversal do dilépton pode ser gerado de maneira consistente com os experimentos. Posteriormente, o formalismo de dipolos aplicado ao mesmo processo é debatido, que em ordem dominante possui distribuição em momentum transversal consistente com os experimentos. Os resultados são cálculos para o fator de modificação nuclear (RpA) para rapidezes negativas como função de rapidez e momentum transversal. A aplicação para rapidezes negativas do formalismo de dipolos é uma contribuição original, bem como a comparação deste formalismo com o modelo de pártons com momentum transversal intrínseco. Efeitos de grande (efeito EMC e anti-sombreamento) e de pequeno x (sombreamento) são observados. Mostra-se que o momentum transversal intrínseco é particularmente importante, alterando o fator de modificação nuclear em torno de 10%. Quando as diferentes parametrizações da seção de choque de dipolos são comparadas, a produção de diléptons não apresenta variações significativas, indicando que ela não é sensível aos detalhes das parametrizações, como a possível violação de escalamento geométrico presente na parametrização DHJ. Adicionalmente, os resultados do modelo de pártons são estendidos para rapidezes positivas e comparados com resultados do condensado de vidros de cor. Para energias de RHIC, os formalismos concordam, enquanto que para LHC, a menos que a parametrização nuclear tenha um sombreamento muito forte (caso da EPS08), os formalismos discordam, devido aos comportamentos distintos do sombreamento de glúons e do sombreamento de quarks. Como perspectiva, é discutido o modelo unidimensional, que é uma simplificação drástica da evolução de dipolos sem deixar de incluir os efeitos de flutuações. Em particular, as possibilidades de escalamento geométrico e escalamento difusivo nas seções de choque são discutidas. / The main topic of this thesis is the study of nuclear effects in Drell–Yan dilepton production at RHIC and LHC energies. Two approaches are employed: the color dipole approach and the parton model with intrinsic transverse momentum. In the first chapter, a brief introduction and the motivation to the study are presented. Chapt. 2 reviews the deep inelastic scattering (DIS) in the parton model and the parton distribution functions of protons (CTEQ) and of nucleons (EKS, EPS08 e EPS09) are examinated. The DIS in the dipole frame is also discussed. Chapt. 3 reviews the theoretical foundations of the color dipole approach and the dipole cross section. The main equations that drive the dipole evolution are shown, followed by the phenomenological parameterizations GBW, DHJ, BUW, and ABGS. A new model is proposed: the AGBS parameterization with fluctuations. When fitted to HERA data, the new parameterization does not differ from the old AGBS, indicating that fluctuations are not needed to reproduce DIS data at current energies. Chapt. 4 discusses the parton model in the Drell–Yan process. This approach is considered at leading order, at next-to-leading order (NLO), and at NLO with intrinsic transverse momentum, as only in the last case the dilepton transverse momentum distribution can be obtained in agreement with experiments. Afterwards, the color dipole approach applied to the process is examined, giving at leading order a transverse momentum distribution compatible with experiments. The results are calculations to the nuclear modification factor (RpA) at backward rapidities as function of rapidity and transverse momentum. The use of backward rapidities of the color dipole approach is an original contribution, as well as the comparison of this approach with the parton model with intrinsic transverse momentum. Effects of large (EMC effect and antishadowing) and of small x (shadowing) are seen. It is shown that the intrinsic transverse momentum is particularly important, changing the nuclear modification factor of about 10%. When different parameterizations of the dipole cross section are compared, the dilepton production does not show significant discrepancies, suggesting the it is not sensitive to the parametrization details, such as the possibility of geometric scaling breaking present in DHJ parameterization. Furthermore, the parton model results are extended to forward rapidities and compared with results of the color glass condensate. At RHIC energies, the approaches agree, while at LHC energies, unless the nuclear parameterization shows a very strong nuclear shadowing (EPS08 case), the approaches disagree, due to the different behaviors of gluon shadowing and quark shadowing. The unidimensional model, a toy model of the dipole evolution that includes the fluctuation effects is also investigated. Specificaly, the possibilities of geometric scaling and difusive scaling in cross sections are discussed.