La théorie de la fonctionnelle de la densité dépendante du temps (TDDFT) est aujourd'hui une méthode de référence pour le calcul des énergies d'excitation électroniques. Cependant, dans les approximations usuelles, elle n'est pas capable de décrire correctement les excitations de Rydberg, à transfert de charge ou présentant un caractère multiple. La séparation de portée de l'interaction électronique permet de combiner rigoureusement les méthodes fonctionnelles pour décrire la courte portée de l'interaction et les méthodes fonctions d'onde ou fonctions de Green pour la longue portée. Dans cette thèse, les effets de cette séparation de portée sur les énergies d'un système en interaction partielle sont d'abord étudiés le long de la connection adiabatique dans le cas indépendant du temps afin d'aider le développement des méthodes à séparation de portée pour les énergies d'excitation. La séparation de portée est ensuite appliquée dans le cadre de la TDDFT aux noyaux d'échange et de corrélation, où dans le cas d'une approximation monodéterminentale, la longue portée du noyau de corrélation est absente. Afin de prendre en compte l'effet des doubles excitations, un noyau de corrélation de longue portée dépendant de la fréquence est développé en s'inspirant du noyau Bethe-Salpeter. Ce noyau est alors ajouté de façon perturbative au noyau TDDFT à séparation de portée afin de prendre en compte les effets des excitations doubles. / Linear-response time-dependent density-functional theory (TDDFT) is nowadays a method of choice to compute molecular excitation energies. However, within the usual adiabatic semi-local approximations, it is not able to describe properly Rydberg, charge-transfer or multiple excitations. Range separation of the electronic interaction allows one to mix rigorously density-functional methods at short range and wave function or Green’s function methods at long range. When applied to the exchange functional, it already corrects most of these deficiencies but multiple excitations remain absent as they need a frequency-dependent kernel. In this thesis, the effects of range separation are first assessed on the excitation energies of a partially-interacting system in an analytic and numerical study in order to provide guidelines for future developments of range-separated methods for excitation energy calculations. It is then applied on the exchange and correlation TDDFT kernels in a single-determinant approximation in which the long-range part of the correlation kernel vanishes. A long-range frequency-dependent second-order correlation kernel is then derived from the Bethe-Salpeter equation and added perturbatively to the range-separated TDDFT kernel in order to take into account the effects of double excitations.

<div>We study the Gaudin model associated to Lie algebras of classical types.</div><div><br></div><div>First, we derive explicit formulas for solutions of the Bethe ansatz equations of the Gaudin model associated to the tensor product of one arbitrary finite-dimensional irreducible module and one vector representation for all simple Lie algebras of classical type. We use this result to show that the Bethe Ansatz is complete in any tensor product where all but one factor are vector representations and the evaluation parameters are generic. We also show that except for the type D, the joint spectrum of Gaudin Hamiltonians in such tensor products is simple.</div><div><br></div><div>Second, we define a new stratification of the Grassmannian of N planes. We introduce a new subvariety of Grassmannian, called self-dual Grassmannian, using the connections between self-dual spaces and Gaudin model associated to Lie algebras of types B and C. Then we obtain a stratification of self-dual Grassmannian. </div>

This thesis focuses on developing new approaches to solving the ground state properties of quantum many-body Hamiltonians, and the goal is to develop a systematic approach which properly balances efficiency and accuracy. Two new formalisms are proposed in this thesis: the Variational Discrete Action Theory (VDAT) and the Off-Shell Effective Energy Theory (OET). The VDAT exploits the advantages of both variational wavefunctions and many-body Green's functions for solving quantum Hamiltonians. VDAT consists of two central components: the Sequential Product Density matrix (SPD) and the Discrete Action associated with the SPD. The SPD is a variational ansatz inspired by the Trotter decomposition and characterized by an integer N, and N controls the balance of accuracy and cost; monotonically converging to the exact solution for N → ∞. The Discrete Action emerges by treating the each projector in the SPD as an effective discrete time evolution. We generalize the path integral to our discrete formalism, which converts a dynamic correlation function to a static correlation function in a compound space. We also generalize the usual many-body Green's function formalism, which results in analogous but distinct mathematical structures due to the non-abelian nature of the SPD, yielding discrete versions of the generating functional, Dyson equation, and Bethe-Salpeter equation. We apply VDAT to two canonical models of interacting electrons: the Anderson impurity model (AIM) and the Hubbard model. We prove that the SPD can be exactly evaluated in the AIM, and demonstrate that N=3 provides a robust description of the exact results with a relatively negligible cost. For the Hubbard model, we introduce the local self-consistent approximation (LSA), which is the analogue of the dynamical mean-field theory, and prove that LSA exactly evaluates VDAT for d=∞. Furthermore, VDAT within the LSA at N=2 exactly recovers the Gutzwiller approximation (GA), and therefore N>2 provides a new class of theories which balance efficiency and accuracy. For the d=∞ Hubbard model, we evaluate N=2-4 and show that N=3 provides a truly minimal yet precise description of Mott physics with a cost similar to the GA. VDAT provides a flexible scheme for studying quantum Hamiltonians, competing both with state-of-the-art methods and simple, efficient approaches all within a single framework. VDAT will have broad applications in condensed matter and materials physics. In the second part of the thesis, we propose a different formalism, off-shell effective energy theory (OET), which combines the variational principle and effective energy theory, providing a ground state description of a quantum many-body Hamiltonian. The OET is based on a partitioning of the Hamiltonian and a corresponding density matrix ansatz constructed from an off-shell extension of the equilibrium density matrix; and there are dual realizations based on a given partitioning. To approximate OET, we introduce the central point expansion (CPE), which is an expansion of the density matrix ansatz, and we renormalize the CPE using a standard expansion of the ground state energy. We showcase the OET for the one band Hubbard model in d=1, 2, and ∞, using a partitioning between kinetic and potential energy, yielding two realizations denoted as K and X. OET shows favorable agreement with exact or state-of-the-art results over all parameter space, and has a negligible computational cost. Physically, K describes the Fermi liquid, while X gives an analogous description of both the Luttinger liquid and the Mott insulator. Our approach should find broad applicability in lattice model Hamiltonians, in addition to real materials systems. The VDAT can immediately be applied to generic quantum models, and in some cases will rival the best existing theories, allowing the discovery of new physics in strongly correlated electron scenarios. Alternatively, the OET provides a practical formalism for encapsulating the complex physics of some model and allowing extrapolation over all phase space. Both of the formalisms should find broad applications in both model Hamiltonians and real materials.

We examine steady transonic flows of Bethe-Zel\'dovich-Thompson (BZT) fluids over thin turbine blades or airfoils. BZT fluids are ordinary fluids having a region of negative fundamental derivative over a finite range of pressures and temperatures in the single phase regime. We derive the transonic small disturbance equation (TSDE) capable of capturing the qualitative behavior of BZT fluids. The shock jump conditions, and shock existence conditions consistent with the derived TSDE are presented. The flux function is seen to be quartic in the pressure or density perturbation rather than the quadratic (convex) flux function of the perfect gas theory. We show how this nonconvex flux function can be used to predict and explain the complex flows possible in transonic BZT fluids. Numerical solutions using a successive line relaxation (SLR) scheme are presented. New results of interest include shock-splitting, collisions between expansion and compression shocks, the prediction and observation of two compressive bow shocks in supersonic flows, and the observation of as many as three normal stern shocks following an oblique trailing edge shock. / Master of Science

Indiana University-Purdue University Indianapolis (IUPUI) / We describe a reproduction procedure which, given a solution of the gl(m|n) Gaudin Bethe ansatz equation associated to a tensor product of polynomial modules, produces a family P of other solutions called the population. To a population we associate a rational pseudodifferential operator R and a superspace W of rational functions. We show that if at least one module is typical then the population P is canonically identified with the set of minimal factorizations of R and with the space of full superflags in W. We conjecture that the singular eigenvectors (up to rescaling) of all gl(m|n) Gaudin Hamiltonians are in a bijective correspondence with certain superspaces of rational functions. We establish a duality of the non-periodic Gaudin model associated with superalgebra gl(m|n) and the non-periodic Gaudin model associated with algebra gl(k). The Hamiltonians of the Gaudin models are given by expansions of a Berezinian of an (m+n) by (m+n) matrix in the case of gl(m|n) and of a column determinant of a k by k matrix in the case of gl(k). We obtain our results by proving Capelli type identities for both cases and comparing the results. We study solutions of the Bethe ansatz equations of the non-homogeneous periodic XXX model associated to super Yangian Y(gl(m|n)). To a solution we associate a rational difference operator D and a superspace of rational functions W. We show that the set of complete factorizations of D is in canonical bijection with the variety of superflags in W and that each generic superflag defines a solution of the Bethe ansatz equation. We also give the analogous statements for the quasi-periodic supersymmetric spin chains.

<p>We derive new combinatorail formulas for vector-valued weight functions for the evolution modules over the Yangians Y (gln). We obtain them using the Nested Algebraic Bethe ansatz method.</p> <p>We also describe the asymptotic behavior of the radial solutions of the negative tt∗ equation via the Riemann-Hilbert problem and the Deift-Zhou nonlinear steepest descent method.</p>

Un défi toujours actuel dans le domaine des systèmes intégrables quantiques est le calcul exact et explicite des fonctions de corrélation. Dans le cas de modèles simples tels que la chaîne de Heisenberg XXZ de spins 1/2, des progrès significatifs ont été réalisés ces dernières années. Les méthodes développées utilisent les symétries des modèles en volume infini (algèbre quantique affine) ou fini (algèbre de Yang-Baxter). L'objet de cette thèse est d'étendre le champ d'application de ce dernier type d'approche dans le cas où l'algèbre de Yang-Baxter sous-jacente est de type dynamique. C'est typiquement le cas du modèle de physique statistique solid-on-solid (SOS) qui décrit les interactions d'un paramètre de hauteur autour des faces d'un réseau bidimensionnel, avec des poids statistiques donnés par une matrice R elliptique solution de l'équation de Yang-Baxter dynamique.L'étude des fonctions de corrélation du modèle SOS est abordée dans le cadre de l'ansatz de Bethe algébrique et de la méthode de séparation des variables. Des représentations en termes de déterminants de fonctions usuelles sont obtenues par les deux méthodes pour les produits scalaires entre états et pour les facteurs de forme des opérateurs locaux en volume fini. Les formules obtenues dans le cadre de l'ansatz de Bethe algébrique sont ensuite utilisées pour représenter la fonction de corrélation à deux points sous la forme d'intégrales multiples, ainsi que pour le calcul de diverses quantités physiques à la limite thermodynamique, telles que les polarisations spontanées ou les probabilités de hauteurs locales. Ces dernières s'expriment sous forme d'intégrales multiples similaires à celles du modèle XXZ. / A current challenge in the field of quantum integrable systems is the exact and explicit computation of correlation functions. In simple models such as the XXZ spin 1/2 Heisenberg chain, some significant results have been obtained during the last years. The developed methods essentially use the symmetries of the models in infinite volume (quantum affine algebra) or finite volume (Yang-Baxter algebra). The aim of this thesis is to generalize the scope of the latter approaches to the case where the underlying Yang-Baxter algebra is of dynamical type. This is typically the case of the statistical mechanics solid-on-solid (SOS) model which describes the interactions of a height parameter around faces of a bidimensional lattice, and whose statistical weights are given by an elliptic R-matrix which is solution of the dynamical Yang-Baxter equation.The study of correlation functions of the SOS model is discussed in the framework of the algebraic Bethe ansatz and the separation of variables. Representations in terms of determinants of usual functions are obtained by these two methods for the scalar products of states and for form factors of local operators in finite volume. The obtained formula in the framework of the algebraic Bethe ansatz are then used to represent the two-point function as multiple integrals, and also to compute various physical quantities at the thermodynamic limit, such as the spontaneous polarizations or the local height probabilities. The latter can be expressed in terms of multiple integrals of contour, which are really similar to the ones obtained in the XXZ model.

<div>We consider actions of the current Lie algebras $\gl_{n}[t]$ and $\gl_{k}[t]$ on the space $\mathfrak{P}_{kn}$ of polynomials in $kn$ anticommuting variables. The actions depend on parameters $\bar{z}=(z_{1}\lc z_{k})$ and $\bar{\alpha}=(\alpha_{1}\lc\alpha_{n})$, respectively.</div><div>We show that the images of the Bethe algebras $\mathcal{B}_{\bar{\alpha}}^{\langle n \rangle}\subset U(\gl_{n}[t])$ and $\mathcal{B}_{\bar{z}}^{\langle k \rangle}\subset U(\gl_{k}[t])$ under these actions coincide.</div><div></div><div>To prove the statement, we use the Bethe ansatz description of eigenvectors of the Bethe algebras via spaces of quasi-exponentials. We establish an explicit correspondence between the spaces of quasi-exponentials describing eigenvectors of $\mathcal{B}_{\bar{\alpha}}^{\langle n \rangle}$ and the spaces of quasi-exponentials describing eigenvectors of $\mathcal{B}_{\bar{z}}^{\langle k \rangle}$.</div><div></div><div>One particular aspect of the duality of the Bethe algebras is that the Gaudin Hamiltonians exchange with the Dynamical Hamiltonians. We study a similar relation between the trigonometric Gaudin and Dynamical Hamiltonians. In trigonometric Gaudin model, spaces of quasi-exponentials are replaced by spaces of quasi-polynomials. We establish an explicit correspondence between the spaces of quasi-polynomials describing eigenvectors of the trigonometric Gaudin Hamiltonians and the spaces of quasi-exponentials describing eigenvectors of the trigonometric Dynamical Hamiltonians.</div><div></div><div>We also establish the $(\gl_{k},\gl_{n})$-duality for the rational, trigonometric and difference versions of Knizhnik-Zamolodchikov and Dynamical equations.</div>

Ce mémoire étudie le modèle quantique d’Ising-Kawasaki en une dimension. Cette chaîne quantique de spin-1/2 décrit la dynamique de Kawasaki hors d’équilibre d’une chaîne d’Ising classique couplée à un bain thermique. L’Hamiltonien est obtenu pour le cas général désor- donné avec des couplages d’Ising et champs magnétiques non-uniformes. Quand les champs magnétiques sont nuls, la chaîne de spin quantique est stochastique, et dépend des couplages d’Ising normalisés par la température du bain de chaleur. Dans le cas de couplages uniformes, nous donnons les états fondamentaux exacts de la chaîne de spin, ainsi que ses excitations à 1-magnon. Les solutions pour les spectres à deux magnons sont dérivées via une variante de l’Ansatz de Bethe. Dans le régime antiferromagnétique, les états de branche à deux magnons présentent un comportement complexe, notamment en ce qui concerne l’hybridation avec le continuum. L’analyse faite dans ce mémoire, combinée aux études précédentes, suggère que le système manifeste des dynamiques multiples à basse énergie, comme le montre la présence de plusieurs exposants critiques dynamiques. La distribution de l’espacement de l’ensemble des niveaux d’énergie est évaluée en fonction du couplage d’Ising. On conclut que le sys- tème est non-intégrable pour des paramètres génériques, ou de manière équivalente, que la dynamique classique hors équilibre correspondante est ergodique. / We study a quantum spin-1/2 chain that is dual to the non-equilibrium Kawasaki dynamics of a classical Ising chain coupled to a thermal bath. The Hamiltonian is obtained for the general disordered case with non-uniform Ising couplings. The quantum spin chain is stoquastic, and depends on the Ising couplings normalized by the bath’s temperature. Proceeding with uniform couplings, we give the exact groundstates of the gapless spin chain, as well as its single-magnon excitations. Solutions for the two-magnon spectra are derived via a Bethe Ansatz scheme. In the antiferromagnetic regime, the two-magnon branch states show intricate behavior, especially regarding hybridization with the continuum. Our analysis, when combined with previous studies, suggests that the system hosts multiple dynamics at low energy as seen via the presence of multiple dynamical critical exponents. Finally, we analyze the full energy level spacing distribution as a function of the Ising coupling. We conclude that the system is non-integrable for generic parameters, or equivalently, that the corresponding non-equilibrium classical dynamics are ergodic.

Le présent mémoire contient deux articles reliés par le formalisme de l'ansatz de Bethe. Dans le premier article, l'opérateur de Heun de type Lie est identifié comme une spécialisation de la matrice de transfert d'un modèle de \(BC\)-Gaudin à un site dans un champ magnétique. Ceci permet de le diagonaliser à l'aide de l'ansatz de Bethe algébrique modifié. La complétude du spectre est démontrée en reliant les racines de Bethe aux zéros des solutions polynomiales d'une équation différentielle de Heun inhomogène. Le deuxième article aborde le sujet des représentations irréductibles de l'algèbre de Lie \(su(3)\) dans la réduction \(su(3) \supset so(3) \supset so(2)\). Cette manière de construire les représentations irréductibles de \(su(3)\) porte une ambiguïté qui empêche de distinguer totalement les vecteurs de base, ce qui mène à un problème d'étiquette manquante. Dans cet esprit, l'algèbre des deux opérateurs fournissant cette étiquette est examinée. L'opérateur de degré 4 dans les générateurs de \(su(3)\) est diagonalisé en se servant des techniques de l'ansatz de Bethe analytique. / This Master’s thesis contains two articles linked by the formalism of the Bethe ansatz. In the first article, the Lie-type Heun operator is identified as a specialization of the transfer matrix of a one-site BC-Gaudin model in a magnetic field. This allows its diagonalization by means of the modified algebraic Bethe ansatz. The completeness of the spectrum is proven by relating the Bethe roots to the zeros of the polynomial solutions of an inhomogeneous differential Heun equation. The second article deals with the subject of irreducible representations of the Lie algebra su(3) in the reduction su(3) ⊃ so(3) ⊃ so(2). This way of constructing the irreducible representations of su(3) carries an ambiguity in distinguishing the basis vectors, also known as a missing label problem. In this spirit, the algebra of the two operators providing the missing label is examined. The operator of degree 4 in the generators of su(3) is diagonalized using the techniques of the analytical Bethe ansatz.