Oral Health Status and Treatment Needs of the Institutionalized Chronic Psychiatric Patients in two Ontario Psychiatric Care Centres Neyaz Farrahi-Avval Master of Science Graduate Department of Dentistry University of Toronto 2008 Abstract Purpose: To examine the oral health status of psychiatric in-patients at two long-term psychiatric health centres, with one operating a full-time dental care facility. Methods: Data were gathered from clinical examinations, a structured interview and hospital records from 120 participants. Periodontal (CPI) and dental (DMFT) indices, subjectively reported oral health status, and oral health behaviour were subsequently analyzed. Results: Referrals for dental problems were made for 62.9% of participants. Bivariate analyses revealed positive correlations between DMFT scores, age and length of stay. Multiple regression analyses demonstrated correlations between DMFT scores and infrequent dental visits, frequent snacking and age. Patients at the psychiatric hospital without a full-time dental care facility were more likely to have had higher DMFT scores, and infrequent dental visits. Conclusions: Psychiatric patients have poor oral health and significant oral health treatment needs. This study underlines the need for on-site dental care facilities at long-term psychiatric care centres.

Oral Health Status and Treatment Needs of the Institutionalized Chronic Psychiatric Patients in two Ontario Psychiatric Care Centres Neyaz Farrahi-Avval Master of Science Graduate Department of Dentistry University of Toronto 2008 Abstract Purpose: To examine the oral health status of psychiatric in-patients at two long-term psychiatric health centres, with one operating a full-time dental care facility. Methods: Data were gathered from clinical examinations, a structured interview and hospital records from 120 participants. Periodontal (CPI) and dental (DMFT) indices, subjectively reported oral health status, and oral health behaviour were subsequently analyzed. Results: Referrals for dental problems were made for 62.9% of participants. Bivariate analyses revealed positive correlations between DMFT scores, age and length of stay. Multiple regression analyses demonstrated correlations between DMFT scores and infrequent dental visits, frequent snacking and age. Patients at the psychiatric hospital without a full-time dental care facility were more likely to have had higher DMFT scores, and infrequent dental visits. Conclusions: Psychiatric patients have poor oral health and significant oral health treatment needs. This study underlines the need for on-site dental care facilities at long-term psychiatric care centres.

AIM OF THE STUDY To describe prevalence and severity of periodontal diseases among urban and rural 11-15 year-olds in Lithuania and to evaluate risk factors, prevention and treatment needs. OBJECTIVES OF THE STUDY 1. To evaluate oral hygiene among 11-15 year-old schoolchildren and to describe dependence on gender, age, parients‘ education and living area. 2. To evaluate freequence of complaints of the bleeding gingiva among 11-15 year-old schoolchildren and to describe dependence on gender, age and living area. 3. To evaluate the dependence of freequence of complaints of the bleeding gingiva on oral higiene, living style and parients‘ education. 4. To describe prevalence and severity of periodontal diseases among urban and rural 11-15 year-old schoolchildren and to elucidate relation with local risk factors and oral hygiene. 5. T o evaluate treatment needs of periodontal diseases among urban and rural 11-15 year-old schoolchildren. 6. To create methods of prevention of periodontal diseases for the 11-15 year-old schoolchildren and present them too schoolchildren and dentists. ORIGINALITY OF INVESTIGATION OUTCOME For the first time in Lithuania the periodontal tissue condition of the eleven to fifteen years old town and village schoolchildren, the main periodontal disease risk factors, and the need for periodontal disease treatment was studied and evaluated, as well as the dental caries and periodontal disease risk factor relationship was identified. The periodontal... [to full text]

La transition de phase isostructurale du cérium a été et reste l'objet de nombreuses études pour tester les méthodes permettant de décrire les matériaux fortement corrélés.La Théorie du Champ Moyen Dynamique (DMFT) jointe à la Théorie de la fonctionnelle de la densité à permis de décrire de tels systèmes.Pourtant, le calcul des propriétés de l'état fondamental nécessite une très bonne précision de calcul à la fois de la part de la DFT et de la DMFT.Nous utilisons un résolveur Monte Carlo Quantique en Temps Continu (CT-QMC), rapide et capable de simuler les basses températures, combiné à une implantation ondes planes augmentées par projection de la DMFT pour calculer les énergies internes et libres -- et par conséquent l'entropie -- au cours de la transition de phase du cérium.D'importants calculs, utilisant cette implantation, nous ont permis de reconsidérer les propriétés de l'état fondamental et une grande partie de la thermodynamique de la transition de phase α<->γ du cérium à basses températures.En particulier, le bruit stochastique est suffisamment faible pour interpréter, sans ambiguïté, les courbes énergie en fonction du volume.Sur ces dernières, un double point d'inflexion est clairement visible pour l'énergie interne jusqu'à une température relativement basse.Les courbes d'énergie libre mettent, de plus, en évidence l'importance de l'entropie pour ce système.D'autre part, les spectres de photoemission tout au long de la transition de phase sont analysés.Le schéma DMFT est comparé avec des calculs DFT récents et des données expérimentales récentes.Enfin, nous mettons en avant les approximations utilisées et nous nous interrogeons sur leurs validité.

Submitted by Luciana Ferreira (lucgeral@gmail.com) on 2014-10-23T13:47:40Z No. of bitstreams: 2 Dissertação - Lorena Batista de Oliveira - 2013.pdf: 1517901 bytes, checksum: 1e28726f99fa77c0215cf6933ac343da (MD5) license_rdf: 23148 bytes, checksum: 9da0b6dfac957114c6a7714714b86306 (MD5) / Approved for entry into archive by Luciana Ferreira (lucgeral@gmail.com) on 2014-10-23T14:33:35Z (GMT) No. of bitstreams: 2 Dissertação - Lorena Batista de Oliveira - 2013.pdf: 1517901 bytes, checksum: 1e28726f99fa77c0215cf6933ac343da (MD5) license_rdf: 23148 bytes, checksum: 9da0b6dfac957114c6a7714714b86306 (MD5) / Made available in DSpace on 2014-10-23T14:33:35Z (GMT). No. of bitstreams: 2 Dissertação - Lorena Batista de Oliveira - 2013.pdf: 1517901 bytes, checksum: 1e28726f99fa77c0215cf6933ac343da (MD5) license_rdf: 23148 bytes, checksum: 9da0b6dfac957114c6a7714714b86306 (MD5) Previous issue date: 2013-08-29 / The monitoring of oral health and its determinants are of utmost importance for the planning and evaluation of health programs at the local level and to expand knowledge about this issue in Brazil. The aim of this study was to analyze the trend of dental caries and its association with individual and contextual factors in 12 years-old in the city of Goiânia. We conducted a cross-sectional study using data from epidemiological surveys of oral health conducted in the county from 1988 to 2010 and data from local information systems on contextual factors related to schools. For trend analysis of caries from 1988 to 2010 the Spearman correlation coefficient was used. Comparisons among Health Districts (HD) were made for the years 1994 and 2010. To analyze the association of the disease with individual and contextual factors in 2010 a multilevel analysis and log-linear regression negative binomial ratio averages were conducted, considering the complex sampling design. The dependent variable was the DMFT index and the independent variables were individual (sex, race and maternal education) and contextual related to schools (type of school, health district and the presence of oral health programs). The mean DMFT decreased 78.5% in the period, from 8.26 in 1988 to 1.78 in 2010 (r = -1.0, p ≤ 0.01) and there was a decrease of 86.8% in the decayed component, 73.3% in the missing due to caries and 41.7% in the filled teeth. There was an increase of 86.8% in the number of caries-free schoolchildren from 1994 to 2010 (r = 1.0, p ≤ .01). Children attending schools located in the HD with the worst socioeconomic indicators showed higher caries prevalence and lower percentage reductions compared with those with better indicators. In the multilevel model, female students and those whose mothers had less education, attending public schools located in districts with the worst socioeconomic indicators, and covered by the Family Heath Strategy had a higher DMFT in 2010. We concluded that there was a decrease in the prevalence of caries in Goiania from 1988 to 2010 and inequalities in the disease distribution in relation to sociodemographic factors related to individuals and school environment, which indicate the need for more effective actions seeking to reduce the inequalities, with emphasis on the school population less economically favored. / O monitoramento da condição de saúde bucal e seus determinantes são de extrema importância para o planejamento e avaliação das ações de saúde no nível local e para ampliar o conhecimento sobre esta questão no Brasil. O objetivo do presente estudo foi analisar a tendência da cárie dentária e sua associação com fatores individuais e contextuais em escolares de 12 anos do município de Goiânia. Foi realizado um estudo transversal utilizando os dados dos levantamentos epidemiológicos de saúde bucal realizados no município de 1988 a 2010 e dados dos sistemas locais de informação sobre aspectos contextuais relacionados às escolas. Para análise da tendência da cárie de 1988 a 2010 utilizou-se o coeficiente de correlação de Spearman. Comparações entre os Distritos Sanitários (DS) foram feitas para os anos de 1994 e 2010. Para análise da associação da doença com fatores individuais e contextuais em 2010 foi realizada análise multinível e regressão log-linear binomial negativa de razão de médias, considerando o plano complexo de amostragem. A variável dependente foi o índice CPOD e as independentes foram individuais (sexo, raça e escolaridade da mãe) e contextuais relacionadas às escolas (natureza administrativa, distrito sanitário e presença de programas de saúde bucal). O CPOD médio diminuiu 78,5% no período analisado, de 8,26 em 1988 para 1,78 em 2010 (r= -1,0; p≤ 0,01) e houve queda de 86,8% na média do componente cariado, 73,3% do perdido e 41,7% do obturado. Houve também aumento de 86,8% no número de escolares livres de cárie de 1994 a 2010 (r= 1,0; p≤ 0,01). Escolares das instituições localizadas nos DS com piores indicadores socioeconômicos apresentaram maior prevalência de cárie e menor percentual de redução em comparação com aqueles com melhores indicadores. No modelo multinível, escolares do sexo feminino e aqueles cujas mães tinham menor escolaridade, que frequentavam escolas públicas, localizadas nos distritos com os piores indicadores socioeconômicos, e com cobertura pela ESF apresentaram maiores médias de CPOD em 2010. Conclui-se que houve declínio da prevalência de cárie em Goiânia de 1988 a 2010 e desigualdades na distribuição da doença em relação a fatores sociodemográficos individuais e relacionados ao ambiente escolar, que indicam a necessidade de ações mais efetivas buscando reduzir as iniquidades encontradas, com ênfase na população escolar menos favorecida economicamente.

Background: The health status of a population is directly associated with the social conditions of the place where they live. Likewise, oral health is also linked to social determinants, especially the individual and family income, access to health services and social interaction. Methods: It is a cross-sectional population-based survey whose target population comprises adults above 18 years, of both sexes, users of the Brazilian Public Health System (BPHS). It aims to evaluate the impact of the Family Health Strategy (FHS) and Bolsa Familia (BF) in oral health of this population, carried in Porto Alegre, in units of the Family Health and Traditional ones. Participants answered a structured interview and had their mouth examined for investigation of oral health. The association between variables was calculated using negative binomial, using the statistical package R 3.0.1.t. Results: A sample of 187 adults was studied, which comprised 127 (68, 2%) women and 59 men (31, 7%). The mean DMFT (decayed, missed and filled teeth) increase according with age, being 1.6 for the age 18-19 years and 23.5 for older than 74 years. DMFT was equal to zero in only 12 participants (6,4%). The number of missed teeth increase with age and brushing frequency and decrease with income and flossing. The number of decayed teeth decrease with age (RR=0.98; 95% CI 0.97-0.98) and in subjects that receive the cash transfer BF (RR=0.89; 95% CI 0.79-0.98). The presence of filled teeth decreased in subjects who live in áreas covered by FHS (rr=0.74; 95% CI 0.52-0.95) area and increase according with age (RR=1.02; 95% CI 1.01-1.03) and in people with frequency of flossing less than once a day (RR=1.47, 95% CI 1.09-1.99). The presence of sound teeth decrease with age (RR 0.98, 95% CI 0.97-0.98) and in areas with FHS (RR=0.89, 95% CI 0.80-0.98). Conclusions: The oral health measured by the DMFT index and its components is associated with both, type of primary healthcare model and income (family income and Bolsa Familia access). In general, the oral health of the studied sample is better than the nationwide mean, translated in the higher number of sound teeth. / Introdução: O estado de saúde de uma população é diretamente associado as condições sociais do local onde ela vive. Da mesma forma, a saúde bucal também é associada a determinantes sociais, especialmente a renda familiar e individual, acesso aos serviços de saúde e convívio social. Métodos: Trata-se de um estudo transversal, de base populacional cuja população alvo compreende adultos acima de 18 anos, de ambos os sexos, usuários do Sistema Único de Saúde (SUS). Tem como objetivo geral avaliar o impacto dos Programas Saúde da Família e Bolsa Família na Saúde Bucal dessa população e foi realizado no município de Porto Alegre, em Unidades de Saúde da Família e em Unidades Básicas de Saúde. Os participantes responderam a uma entrevista estruturada e tiveram sua boca examinada, após serem informados sobre a natureza do estudo e assinarem um termo de consentimento livre e esclarecido. A associação entre as variáveis foi calculada através de binomial negativa, usando o pacote estatístico R 3.0.1. Resultados: O estudo foi realizado com uma amostra de 187 adultos, que compreendeu 127 (68, 2%) mulheres e 59 homens (31,7%). O CPOD aumentou na amostra de acordo com a idade, sendo 1,6 para a idade 18-19 anos e 23,5 para maiores de 74 anos. O CPOD foi igual a zero para apenas 12 participantes (6,4%). Dentes perdidos estão associados positivamente com a idade e freqüência de escovação e inversamente associados com renda e fio dental. O número de dentes cariados deminuiu com a idade (RR = 0,98, IC,97-,98 95%) e em indivíduos que pertencem ao Bolsa Família (RR = 0,89, IC 95% 0,79-0,98). A presença de dentes obturados é menor em pessoas que pertencem as áreas de ESF (RR = 0,74, IC 95% 0,52-0,95) e aumenta de acordo com a idade (RR = 1,02, IC 95% 1,01-1,03) e em pessoas que usam de fio dental menos de uma vez por dia (RR = 1,47, 95% CI 1,09-1,99). O número de dentes hígidos diminui com a idade (RR de 0,98, IC de 95% 0,97-0,98) e é menor em moradores de áreas adscritas a ESF (RR = 0,89, IC de 95% 0,80-0,98). Conclusão: A saúde bucal medida pelo índice CPO-D e seus componentes está associada tanto ao tipo de modelo de cuidados de saúde primários quanto renda (renda familiar eo Bolsa Família acesso). Em geral, a saúde bucal da amostra estudada é melhor do que a média nacional, demonstrado pelo maior número de dentes hígidos.

A osteonecrose dos maxilares associada aos bisfosfonatos (OMAB) é reconhecidamente uma complicação tardia dos bisfosfonatos, que são empregados para tratar desordens esqueléticas marcadas pela perda de massa óssea. Hoje, o reconhecimento da variante clínica sem exposição óssea e de outras classes de drogas associadas à osteonecrose dos maxilares (inibidores de RANK-L, VEGF, m- TOR e TNF-a) integram um novo aspecto do conceito dessa entidade patológica. Vários fatores de risco para o desenvolvimento de OMAB foram identificados, incluindo procedimentos odontológicos invasivos, má higiene oral, o uso de bisfosfonatos (particularmente, os bisfosfonatos nitrogenados como o pamidronato e o zoledronato), infusões frequentes e tempo prolongado de exposição aos bisfosfonatos. A saúde bucal é um fator significativo que afeta o risco de OMAB e, juntamente com a predisposição genética, pode explicar algumas das diferenças de incidência encontrada na literatura. Fatores genéticos parecem influenciar o risco de desenvolvimento da OMAB. Os polimorfismos de nucleotídeo único dos genes CYP2C8 e RBMS3 foram significativamente associados com um risco mais elevado. Enquanto o gene CYP2C8 está envolvido na inibição dos osteoclastos, diferenciação dos osteoblastos e regulação do tônus vascular, RBMS3 é um gene envolvido no metabolismo ósseo e foi associado à massa óssea reduzida e a fraturas osteoporóticas. Contudo, houve limitações metodológicas nesses estudos, dos quais apenas um abordou a diferença da frequência de polimorfismos associados à OMAB em grupos étnicos distintos. Até o momento faltam estudos genéticos sobre polimorfismos associados com OMAB que tenham sido replicados e validados com evidências convincentes, particularmente, envolvendo populações não caucasianas. Ainda hoje permanece um grande desafio: estratificar o risco para desenvolvimento da OMAB no contexto clínico. Assim, o objetivo do presente estudo é investigar a associação de fatores clínicos (saúde bucal) e genéticos com a ocorrência da OMAB. Realizou-se um estudo transversal com pacientes oncológicos expostos ao zoledronato e/ou pamidronato por pelo menos 7 meses, com ou sem OMAB. Submeteram-se os participantes à avaliação odontológica. Avaliou-se a condição de cárie dentária e doença periodontal através do índice de dentes cariados perdidos e obturados (CPOD) e índice periodontal comunitário. O índice gengival e o índice de higiene oral simplificado (IHOS) também constaram nessa avaliação. Para a discriminação dos genótipos dos genes CYP2C8 e RBMS3, 2 ml de saliva foram coletados e processados para a técnica de PCR quantitativa. A amostra consistiu de 80 pacientes (69 mulheres e 11 homens). O índice geral de OMAB foi 11,2% (câncer de mama: 11,3%; câncer de próstata: 22,2%). Houve forte correlação positiva entre o estadiamento clínico da OMAB e CPOD (rho=0.9189, p=0.001). Inflamação gengival moderada e cálculo dentário alcançaram, respectivamente, 72% e 50% dos indivíduos com OMAB. Bolsa periodontal de 4 mm ou mais envolveu 37,5% desse grupo. IHOS revelou aproximadamente 25% dos indivíduos desse grupo com higiene oral regular. O polimorfismo do gene CYP2C8 estava presente em 50% dos pacientes com OMAB, enquanto 12% apresentou mutação para o gene RBMS3. Em conclusão, a saúde bucal da população oncológica foi bastante precária e o polimorfismo do gene CYP2C8 pareceu se associar à OMAB em população oncológica. / Bisphosphonate-related osteonecrosis of the jaw (BRONJ) is recognized as a late complication of bisphosphonates, which are used to treat skeletal disorders characterized by loss of bone mass. The recognition of clinical variation without bone exposure and other classes of drugs associated with osteonecrosis of the jaws (RANK-L, VEGF, m-TOR and TNF-inhibitors) are part of a new aspect of the pathological concept. Several risk factors for the development of BRONJ have been identified, including invasive dental procedures, poor oral hygiene, use of bisphosphonate (particularly, nitrogen-containing bisphosphonate such as pamidronate and zoledronate), frequent infusions and prolonged exposure to bisphosphonate. Oral health is a significant factor that affects the risk of BRONJ and, along with a genetic predisposition, it might explain epidemiological differences found in literature. Genetic factors seem to impact the risk of developing BRONJ. Single nucleotide polymorphisms of the CYP2C8 and RBMS3 genes were significantly associated with a higher risk. While the CYP2C8 gene is involved in osteoclast inhibition, osteoblast differentiation and regulation of vascular tone, RBMS3 is a gene involved in bone metabolism and has been associated with reduced bone mass and osteoporotic fractures. However, methodological limitations are present in these studies, of which only one addressed the difference in the frequency of polymorphisms associated with BRONJ in different ethnic groups. So far genetic studies have been lacking on polymorphisms associated with BRONJ that have been replicated and validated with convincing evidence, particularly involving non- Caucasian populations. In clinical context, a great challenge remains: classify patients in high risk for the development of BRONJ. Thus, the present study aims to investigate an association of clinical (oral health) and genetic factors with the occurrence of BRONJ. A cross-sectional study was performed with oncologic patients exposed to zoledronate and/or pamidronate for at least 7 months, with or without BRONJ. Participants were submitted to dental evaluation. Dental caries and periodontal disease were evaluated through the index of missing and filled teeth (DMFT) and community periodontal index. The gingival index and the simplified oral hygiene index (SOHI) were also included in this evaluation. For the discrimination of genotypes of the CYP2C8 and RBMS3 genes, 2 ml of saliva were collected and processed for the quantitative PCR technique. The sample consisted of 80 patients (69 women and 11 men). The overall BRONJ index was 11.2% (breast cancer: 11.3%, prostate cancer 22.2%). There was a strong positive correlation between the clinical staging of BRONJ and DMFT (rho=0.9189, p=0.001). Moderate gingival inflammation and dental calculus comprised, respectively, 72% and 50% of individuals with OMAB. Periodontal pocket of 4 mm or more involved 37.5% of this group. SOHI revealed approximately 25% of individuals in this group with regular oral hygiene. The polymorphism of the CYP2C8 gene was present in 50% of patients with BRONJ, while 12% had a mutation for the RBMS3 gene. In conclusion, the oral health of the cancer population was very precarious and CYP2C8 gene polymorphism is apparently associated with BRONJ in cancer population.

Cette th��se propose une nouvelle impl��mentation de "l'approximation de la phase al��atoire avec polarisation contrainte" (constrained Random Phase Approximation, cRPA). Notre impl��mentation repose sur la th��orie de la fonctionnelle de la densit��, d��velopp��e dans une base d'ondes planes augment��es (linearized augmented plane wave, LAPW). Cette m��thode, appliqu��e �� des mat��riaux fortement corr��l��s, permet de calculer de facon r��aliste la matrice d'interaction coulombienne effective, qui pourra ��tre trait��e par la suite au moyen de l'approche �� N-corps souhait��e. En particulier, les valeurs de l'interaction de Hubbard, U , et de l'��change de Hund, J, sont d��termin��es de mani��re ab initio, ainsi que leur d��pendance en fr��quence qui r��sulte des effets dynamiques de l'��crantage. Comme dans la th��orie du groupe de renormalisation de Wilson, l'interaction coulombienne effective d��pend du choix du sous-espace corr��l�� pour lequel est construit un Hamiltonien effectif de basse ��nergie, alors que les valeurs des observables physiques n'en d��pendent pas. Afin de g��n��raliser la cRPA aux mat��riaux dont la structure ��lectronique exhibe des or- bitales corr��l��es et itin��rantes intriqu��es, une m��thode bas��e sur la projection sur le sous-espace corr��l�� est ��galement introduite. Diff��rentes classes de mat��riaux sont envisag��es comme applications : i) pnictures �� base de fer, LaOFeAs et BaFe2As2, et chalcog��nides, FeSe (Chapitre 6), ii) m��taux de transition 3d afin de valider notre m��thode de projection (Chapitre 6), iii) oxydes de m��taux de transition p��rovskites, SrMO3 (M = V, Cr, Mn, Nb, Mo, Tc), et p��rovskites en couches, Sr2MO4 (M = Mo, Tc, Ru, Rh) (Chapitre 7). L'Hamiltonien d'interaction cRPA est ��galement coupl�� �� la th��orie du champ moyen dynamique (LDA+cRPA+DMFT) afin de d��crire l'isolant de Mott induit par le couplage spin-orbite, Sr2IrO4, et le pigment �� base de terre rare, CeSF (Chapitre 8).

Cette thèse propose une nouvelle implémentation de "l'approximation de la phase aléatoire avec polarisation contrainte" (constrained random phase approximation, cRPA). Notre implémentation repose sur la théorie de la fonctionnelle de la densité, développée dans une base d'ondes planes augmentées (linearized augmented plane wave, LAPW). Cette méthode, appliquée à des matériaux fortement corrélés, permet de calculer de facon réaliste la matrice d'interaction coulombienne effective, qui pourra être traitée par la suite au moyen de l'approche à N-corps souhaitée. En particulier, les valeurs de l'interaction de Hubbard, U , et de l'échange de Hund, J, sont déterminées de manière ab initio, ainsi que leur dépendance en fréquence qui résulte des effets dynamiques de l'écrantage. Comme dans la théorie du groupe de renormalisation de Wilson, l'interaction coulombienne effective dépend du choix du sous-espace corrélé pour lequel est construit un Hamiltonien effectif de basse énergie, alors que les valeurs des observables physiques n'en dépendent pas. Afin de généraliser la cRPA aux matériaux dont la structure électronique exhibe des orbitales corrélées et itinérantes intriquées, une méthode basée sur la projection sur le sous-espace corrélé est également introduite. Différentes classes de matériaux sont envisagées comme applications : i) pnictides à base de fer, LaOFeAs et BaFe2As2, et chalcogénides, FeSe (Chapitre 6), ii) métaux de transition 3d afin de valider notre méthode de projection (Chapitre 6), iii) oxydes de métaux de transition pérovskites, SrMO3 (M = V, Cr, Mn, Nb, Mo, Tc), et pérovskites en couches, Sr2MO4 (M = Mo, Tc, Ru, Rh) (Chapitre 7). L'Hamiltonien d'interaction cRPA est également couplé à la théorie du champ moyen dynamique (LDA+cRPA+DMFT) afin de décrire l'isolant de Mott induit par le couplage spin-orbite, Sr2IrO4, et le pigment à base de terre rare, CeSF (Chapitre 8).

We describe the rare-earth elements using the Hubbard I approximation. We show that the theory reproduces the cohesive properties, like the volume and bulk modulus, and we find an excellent agreement between theory and experiment for the (inverse) photo emission spectra of the valence band. In addition we reproduce the spin and orbital moments of these elements. This licentiate thesis contains an introduction to the cohesive, magnetic and spectral properties of the rare-earth elements, to density functional theory and to density functional theory in combination with dynamical mean-field theory within the Hubbard I approximation. We also focus on some technical details, e.g. the optimal basis used in the electronic structure code and the role of charge self-consistency in properly describing the valence electrons.