We derive an exact relational quantum field theory whose structure is dictated by invariance postulates motivated by the symmetries of the Hamiltonian and by the physical equivalence of inertial frames. The postulates require the physically meaningful observables of an isolated system to be invariant under translations, rotations and changes of inertial frame, and therefore replace the conventional absolute description by one formulated in terms of relational observables. For non-relativistic many-body systems, the resulting physical Hamiltonian is the internal Hamiltonian, which we formulate entirely in terms of the original elementary fields. We show that conventional local densities and currents are not physical observables, whereas relational spatial observables generally acquire a higher particle and field rank. Consequently, even the simplest relational densities and currents require higher-order Green's functions. The one-particle Green's function therefore loses its conventional role as the fundamental carrier of physical spatial information, forcing a fundamental change in the structure of the quantum field theory. The theory reproduces the internal formulations known from atomic and molecular physics as special cases while providing a unified relational quantum field theory for arbitrary isolated non-relativistic electron-nuclear systems.
We derive an exact relational quantum field theory whose structure is dictated by invariance postulates motivated by the symmetries of the Hamiltonian and by the physical equivalence of inertial frames. The postulates require the physically meaningful observables of an isolated system to be invariant under translations, rotations and changes of inertial frame, and therefore replace the conventional absolute description by one formulated in terms of relational observables. For non-relativistic many-body systems, the resulting physical Hamiltonian is the internal Hamiltonian, which we formulate entirely in terms of the original elementary fields. We show that conventional local densities and currents are not physical observables, whereas relational spatial observables generally acquire a higher particle and field rank. Consequently, even the simplest relational densities and currents require higher-order Green's functions. The one-particle Green's function therefore loses its conventional role as the fundamental carrier of physical spatial information, forcing a fundamental change in the structure of the quantum field theory. The theory reproduces the internal formulations known from atomic and molecular physics as special cases while providing a unified relational quantum field theory for arbitrary isolated non-relativistic electron-nuclear systems.
We consider symmetries and reduction in non-relativistic many-body quantum mechanics, with the aim of identifying physically meaningful observables in systems such as molecules and crystalline solids. To this end, we propose a unified framework based on two additional postulates supplementing the standard quantum-mechanical formalism. For stable systems, the physically relevant states are normalizable stationary states, while physically meaningful observables are required to be invariant under a selected subgroup of the symmetry group and under Galilean boosts. In addition, we postulate the existence of a map from the set of all observables allowed by quantum mechanics to the corresponding invariant physically meaningful observables. The originality of the present work does not lie in specific reductions, but in the unified framework that connects symmetry reduction and relational many-body quantum theory. We interpret entities like superselection rules and quantum reference frames as important parts of the postulated process of obtaining the physically meaningful relational description. In particular, the requirement of Galilean-boost invariance added strengthens the criterion for physical observability by excluding quantities that depend on the choice of inertial frame. An important consequence of the postulates is that in the considered cases every physically meaningful observable necessarily depends on more than one non-invariant observable, the latter being typically associated with degrees of freedom assigned to a single particle. The postulates thus lead to theories that are well aligned with the literature on reduction and the description of molecules, while at the same time being consistent with the relational interpretation of quantum mechanics, according to which the complete physical description of a system is defined only relative to other systems.
We consider symmetries and reduction in non-relativistic many-body quantum mechanics, with the aim of identifying physically meaningful observables in systems such as molecules and crystalline solids. To this end, we propose a unified framework based on two additional postulates supplementing the standard quantum-mechanical formalism. For stable systems, the physically relevant states are normalizable stationary states, while physically meaningful observables are required to be invariant under a selected subgroup of the symmetry group and under Galilean boosts. In addition, we postulate the existence of a map from the set of all observables allowed by quantum mechanics to the corresponding invariant physically meaningful observables. The originality of the present work does not lie in specific reductions, but in the unified framework that connects symmetry reduction and relational many-body quantum theory. We interpret entities like superselection rules and quantum reference frames as important parts of the postulated process of obtaining the physically meaningful relational description. In particular, the requirement of Galilean-boost invariance added strengthens the criterion for physical observability by excluding quantities that depend on the choice of inertial frame. An important consequence of the postulates is that in the considered cases every physically meaningful observable necessarily depends on more than one non-invariant observable, the latter being typically associated with degrees of freedom assigned to a single particle. The postulates thus lead to theories that are well aligned with the literature on reduction and the description of molecules, while at the same time being consistent with the relational interpretation of quantum mechanics, according to which the complete physical description of a system is defined only relative to other systems.
The quantum theory of many-particle systems is deeply connected to the mathematical formalism and techniques of quantum field theory, which are crucial in order describe the emergent phenomena that arise in condensed matter physics. The main goal of this thesis is to provide a unified description of quantum field theory methods in the context of many-particle physics in order to extend and develop these techniques to better understand the different quantum properties of matter. This both furthers the conceptual understanding of quantum many-body correlation and also allows for the development of novel theoretical techniques that combine the different formalisms employed in condensed matter theory, quantum chemistry and nuclear physics. To achieve this aim, the thesis is composed of two parts. Part I deals with many-body fermion-fermion interactions and is physically motivated by the non-relativistic electronic structure problem. Here, we introduce the Keldysh contour formulation of quantum field theory to provide a unified presentation of quantum systems both in and out-ofequilibrium. Then, we extend the conventional quantum theory of many-particle systems, based on hermitian quantum mechanics, to describe systems governed by non-hermitan Hamiltonians. This allows us to present a natural unification of two major pillars in the ab initio quantum theory of many-particle systems: coupled-cluster theory and the Green’s function formalism. This unification is further demonstrated through the emergence of the coupled-cluster amplitude equations from the Green’s function formalism. In particular, this analysis has direct bearing on the development of novel theoretical approaches to the electronic structure and nuclear many-body problems. Our findings are also relevant to the study of general non-hermitian as well as open quantum systems. Part II focuses on the quantum field theory of electron-nuclear interactions in infinite solids. Here, we use the Keldysh contour representation presented in Part I to understand excited state dynamics that include electron-electron and electron-lattice interactions in materials. We also derive the analytic continuation of the Green’s function for systems that have continuous eigenspectra. This analysis demonstrates the relationship between the Green’s function formalism and scattering theory, making the role of the continuum and causality conditions explicitly clear in the context of the pole condition of the Dyson equation. Using the analytic continuation of the propagator, we provide an in-depth analysis of electron-phonon and exciton-phonon scattering channels, with a particular focus on phonon-driven exciton dissociation scattering. Our theoretical analysis then firmly demonstrates the connection between the extension of the Bethe-Salpeter equation approach to include electron-phonon interactions and effective field theories based on composite exciton-phonon coupling. We subsequently combine the techniques presented in Part I, based on the Dyson supermatrix formulation, with the analysis presented in Part II to calculate, from first principles, the effects of including electron-phonon interactions on the excited states of heterogeneous semiconductors. Finally, we provide a summary of the fundamental contributions presented in this thesis and the potential further research directions to be pursued.
We combine the recently developed many-body Green's function theory for electrons and nuclei with the exact factorization of the wave function. The existing Born-Oppenheimer Green's functions are shown to be special cases of our exact approach. We consider the limitations of the laboratory frame formulation of the Green's function theory and discuss why the body-fixed frame formulation is needed in order to go beyond the Born-Oppenheimer theory. We give exact forms of the electronic and nuclear Green's functions written in terms of the exact factorized states, providing a systematic approach beyond the Born-Oppenheimer approximation. The lowest order approximation to the exact electronic Green's function is found to be an expected value of the Born-Oppenheimer electronic Green's function with respect to the nuclear density.
It is mandatory to know how to operationally define and translate a reference frame into mathematics, in order that a physical interpretation of theory calculations in terms of observational data is possible. The situation is particularly challenging for gauge systems such as General Relativity where spacetime coordinates are subject to spacetime diffeomorphisms considered as gauge transformations turning coordinates into non-observables. This motivates the idea of operationally defined (material) reference frames which specify coordinates in terms of matter or geometry reference fields leading to the concept of relational observables, relational reference frames and gauge reduction. Upon quantisation, all fields become operator valued distributions. Now new conceptual and technical questions arise such as: Should one reduce before or after quantisation and how are the reference fields quantised respectively in either route? Is a reference frame itself subject to quantisation and how are different quantum reference frames related? How does the gauge reduction fit into this, i.e. how can it be that a certain reference field is considered a non-observable in one reference frame and an observable in another which upon quantisation even displays fluctuations? How precisely are gauge dependent fields interpreted in terms of the relational observables in a given reference frame? What is the relative dynamics, e.g. how exactly are physical Hamiltonians of two relational reference frames related? The present conceptual work addresses these and related questions in a non-perturbative field theory context of sufficient generality to cover General Relativity coupled to standard matter. A central role is played by the concept of the relational reference frame transformation (RRFT) for which a general formula is derived and its properties are explored.
Abstract We consider quantum field theoretic many-body Green’s function approach to solve the Coulomb many-body problem. The earlier beyond Born-Oppenheimer Green’s function theories are absolute in nature and are based on the non-reduced Hamiltonian. Motivated by the issues following this approach we have developed a reduced Green’s function theory which is relational in nature. The central differences between these approaches trace back to the relational-absolute debate, which has continued for over two thousand years since the time of Aristotle and still persists today. We highlight that these aspects of the theories are connected to several areas of modern physics, including relational quantum mechanics, quantum reference frames, superselection rules, the separation of different types of motion and spontaneous symmetry breaking. The starting point of any such exact theory must be absolute, given that the global conservation laws hold. However, for the observables to be meaningful, they must be defined with respect to the relative space. Approximations, such as the one introduced by Born and Oppenheimer, can break global symmetries and make certain parts of the absolute description well-defined. We highlight that spontaneous symmetry breaking is not necessary to explain the existence of solids, but entities such as phonons can be naturally explained within the relational theory.