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Dinàmica de Sistemes Quàntics de Molts Cossos

Giménez Grau, Aleix

Published Jul 3, 2015• 0 citations
OpenAlex

Abstract

Interacting many-body quantum systems are in general difficult to treat. Getting an accurate description of the ground state of a many-body system is hard but standard techniques based on Monte Carlo methods are available. Getting the spectrum of elementary excitations is more involved, and approximation techniques based on elaborated perturbative approaches are in order. In the work the student will have to learn and use the theory of Corrlated Basis Functions, which allows for a reliable estimation of the dynamic structure function of a system of bosons.

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Interacting many-body quantum systems are in general difficult to treat. Getting an accurate description of the ground state of a many-body system is hard but standard techniques based on Monte Carlo methods are available. Getting the spectrum of elementary excitations is more involved, and approximation techniques based on elaborated perturbative approaches are in order. In the work the student will have to learn and use the theory of Corrlated Basis Functions, which allows for a reliable estimation of the dynamic structure function of a system of bosons.
Interacting many-body quantum systems are in general difficult to treat. Getting an accurate description of the ground state of a many-body system is hard but standard techniques based on Monte Carlo methods are available. Getting the spectrum of elementary excitations is more involved, and approximation techniques based on elaborated perturbative approaches are in order. In the work the student will have to learn and use the theory of Corrlated Basis Functions, which allows for a reliable estimation of the dynamic structure function of a system of bosons.
Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becoming essential tools vital for quantitative calculations and understanding materials phenomena in physics, chemistry, materials science and other fields. This book provides a unified exposition of the most-used tools: many-body perturbation theory, dynamical mean field theory and quantum Monte Carlo simulations. Each topic is introduced with a less technical overview for a broad readership, followed by in-depth descriptions and mathematical formulation. Practical guidelines, illustrations and exercises are chosen to enable readers to appreciate the complementary approaches, their relationships, and the advantages and disadvantages of each method. This book is designed for graduate students and researchers who want to use and understand these advanced computational tools, get a broad overview, and acquire a basis for participating in new developments.
Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becoming essential tools vital for quantitative calculations and understanding materials phenomena in physics, chemistry, materials science and other fields. This book provides a unified exposition of the most-used tools: many-body perturbation theory, dynamical mean field theory and quantum Monte Carlo simulations. Each topic is introduced with a less technical overview for a broad readership, followed by in-depth descriptions and mathematical formulation. Practical guidelines, illustrations and exercises are chosen to enable readers to appreciate the complementary approaches, their relationships, and the advantages and disadvantages of each method. This book is designed for graduate students and researchers who want to use and understand these advanced computational tools, get a broad overview, and acquire a basis for participating in new developments.
Aquest treball s'emmarca en el camp de l'estudi i simulació del comportament de sistemes quàntics complexos, les propietats dels quals vénen dictades per les lleis de la física quàntica. Aquestes juguen un paper fonamental en una varietat de sistemes físics, des de matèria condensada, sistemes superfluids i superconductors, líquids quàntics com l'He a molt baixa temperatura o trampes d'àtoms freds formant condensats de Bose - Einstein. En l'estudi de tots aquests sistemes han adquirit un paper de gran rellevància les tècniques de Quantum Monte Carlo, que es basen en la simulació directa de les partícules que componen el sistema, que es regeixen universalment per l'equació de Schrödinger, que descriu exactament, excepte per efectes relativistes, el comportament quàntic de la matèria. En aquest projecte ens dedicarem a crear una eina que apliqui mètodes estocàstics actuals, i permeti comparar-los amb la nostra implementació d'un mètode molt recent que aconsegueix extreure informació molt precisa del sistema basant-se en postulats de la mecànica quàntica.
In this work we introduce the dual boson diagrammatic Monte Carlo technique for strongly interacting electronic systems. This method combines the strength of dynamical mean-filed theory for nonperturbative description of local correlations with the systematic account of nonlocal corrections in the dual boson theory by the diagrammatic Monte Carlo approach. It allows us to get a numerically exact solution of the dual boson theory at the two-particle local vertex level for the extended Hubbard model. We show that it can be efficiently applied to description of single-particle observables in a wide range of interaction strengths. We compare our exact results for the self-energy with the ladder dual boson approach and determine a physical regime, where the description of collective electronic effects requires more accurate consideration beyond the ladder approximation. Additionally, we find that the order-by-order analysis of the perturbative diagrammatic series for the single-particle Green's function allows to estimate the transition point to the charge density wave phase.
The description of the properties of liquid Helium is a challenge for any microscopic many-body theory. In this context, we study the ground state and the excitation spectrum of one 3 He impurity in liquid 4 He at T=0 with the aim of illustrating the power of the correlated basis function formalism in describing heavily correlated systems. The strong interatomic interaction and the large density require the theory to be pushed to a high degree of sophistication. A many-body correlation operator containing explicit two- and three-particle correlation functions is needed to obtain a realistic ground state wave function, whereas a perturbative expansion including up to two phonon correlated states must be enforced to study the impurity excitation energies. The theory describes accurately the experimental spectrum along all the available momentum range. As empirically shown by the experiments, a marked deviation from the quadratic Landau-Pomeranchuck behavior is found and the momentum dependent effective mass of the impurity increases of ~50% at q~1.7 Å-1 with respect to its q=0 value. Although the main emphasis is given to the correlated basis function theory, we present also comparisons with other methods, as diffusion Monte Carlo, variational Monte Carlo with shadow wave functions and time dependent correlations.