Higher-order calculations in manifestly Lorentz-invariant baryon chiral perturbation theory

This thesis is concerned with calculations in manifestly Lorentz-invariant baryon chiral perturbation theory beyond order D=4. We investigate two different methods. The first approach consists of the inclusion of additional particles besides pions and nucleons as explicit degrees of freedom. This results in the resummation of an infinite number of higher-order terms which contribute to higher-order low-energy constants in the standard formulation. In this thesis the nucleon axial, induced pseudoscalar, and pion-nucleon form factors are investigated. They are first calculated in the standard approach up to order D=4. Next, the inclusion of the axial-vector meson a_1(1260) is considered. We find three diagrams with an axial-vector meson which are relevant to the form factors. Due to the applied renormalization scheme, however, the contributions of the two loop diagrams vanish and only a tree diagram contributes explicitly. The appearing coupling constant is fitted to experimental data of the axial form factor. The inclusion of the axial-vector meson results in an improved description of the axial form factor for higher values of momentum transfer. The contributions to the induced pseudoscalar form factor, however, are negligible for the considered momentum transfer, and the axial-vector meson does not contribute to the pion-nucleon form factor. The second method consists in the explicit calculation of higher-order diagrams. This thesis describes the applied renormalization scheme and shows that all symmetries and the power counting are preserved. As an application we determine the nucleon mass up to order D=6 which includes the evaluation of two-loop diagrams. This is the first complete calculation in manifestly Lorentz-invariant baryon chiral perturbation theory at the two-loop level. The numerical contributions of the terms of order D=5 and D=6 are estimated, and we investigate their pion-mass dependence. Furthermore, the higher-order terms of the nucleon sigma term are determined with the help of the Feynman-Hellmann theorem.

Higher-order molecular properties and excitation energies in single-reference and multireference coupled-cluster theory

Coupled-cluster (CC) theory is one of the most successful approaches in high-accuracy quantum chemistry. The present thesis makes a number of contributions to the determination of molecular properties and excitation energies within the CC framework. The multireference CC (MRCC) method proposed by Mukherjee and coworkers (Mk-MRCC) has been benchmarked within the singles and doubles approximation (Mk-MRCCSD) for molecular equilibrium structures. It is demonstrated that Mk-MRCCSD yields reliable results for multireference cases where single-reference CC methods fail. At the same time, the present work also illustrates that Mk-MRCC still suffers from a number of theoretical problems and sometimes gives rise to results of unsatisfactory accuracy. To determine polarizability tensors and excitation spectra in the MRCC framework, the Mk-MRCC linear-response function has been derived together with the corresponding linear-response equations. Pilot applications show that Mk-MRCC linear-response theory suffers from a severe problem when applied to the calculation of dynamic properties and excitation energies: The Mk-MRCC sufficiency conditions give rise to a redundancy in the Mk-MRCC Jacobian matrix, which entails an artificial splitting of certain excited states. This finding has established a new paradigm in MRCC theory, namely that a convincing method should not only yield accurate energies, but ought to allow for the reliable calculation of dynamic properties as well. In the context of single-reference CC theory, an analytic expression for the dipole Hessian matrix, a third-order quantity relevant to infrared spectroscopy, has been derived and implemented within the CC singles and doubles approximation. The advantages of analytic derivatives over numerical differentiation schemes are demonstrated in some pilot applications.

Simplified Finite Element Assessment of Beams With and Without Shear Deformation

This paper presents a simplified finite element (FE) methodology for solving accurately beam models with (Timoshenko) and without (Bernoulli-Euler) shear deformation. Special emphasis is made on showing how it is possible to obtain the exact solution on the nodes and a good accuracy inside the element. The proposed simplifying concept, denominated as the equivalent distributed load (EDL) of any order, is based on the use of Legendre orthogonal polynomials to approximate the original or acting load for computing the results between the nodes. The 1-span beam examples show that this is a promising procedure that allows the aim of using either one FE and an EDL of slightly higher order or by using an slightly larger number of FEs leaving the EDL in the lowest possible order assumed by definition to be equal to 4 independently of how irregular the beam is loaded.

Higher order Lagrangian systems: Geometric structures, Dynamics, and Constraints

In order to study the connections between Lagrangian and Hamiltonian formalisms constructed from aperhaps singularhigher-order Lagrangian, some geometric structures are constructed. Intermediate spaces between those of Lagrangian and Hamiltonian formalisms, partial Ostrogradskiis transformations and unambiguous evolution operators connecting these spaces are intrinsically defined, and some of their properties studied. Equations of motion, constraints, and arbitrary functions of Lagrangian and Hamiltonian formalisms are thoroughly studied. In particular, all the Lagrangian constraints are obtained from the Hamiltonian ones. Once the gauge transformations are taken into account, the true number of degrees of freedom is obtained, both in the Lagrangian and Hamiltonian formalisms, and also in all the intermediate formalisms herein defined.

Motion estimation using higher-order statistics

The objective of this paper is to introduce a fourth-order cost function of the displaced frame difference (DFD) capable of estimatingmotion even for small regions or blocks. Using higher than second-orderstatistics is appropriate in case the image sequence is severely corruptedby additive Gaussian noise. Some results are presented and compared to those obtained from the mean kurtosis and the mean square error of the DFD.

Wigner higher-order spectra: definition, properties, computation and application to transient signal analysis

The Wigner higher order moment spectra (WHOS)are defined as extensions of the Wigner-Ville distribution (WD)to higher order moment spectra domains. A general class oftime-frequency higher order moment spectra is also defined interms of arbitrary higher order moments of the signal as generalizations of the Cohen’s general class of time-frequency representations. The properties of the general class of time-frequency higher order moment spectra can be related to theproperties of WHOS which are, in fact, extensions of the properties of the WD. Discrete time and frequency Wigner higherorder moment spectra (DTF-WHOS) distributions are introduced for signal processing applications and are shown to beimplemented with two FFT-based algorithms. One applicationis presented where the Wigner bispectrum (WB), which is aWHOS in the third-order moment domain, is utilized for thedetection of transient signals embedded in noise. The WB iscompared with the WD in terms of simulation examples andanalysis of real sonar data. It is shown that better detectionschemes can be derived, in low signal-to-noise ratio, when theWB is applied.

Generalized Higher-Order Voronoi Diagrams on Polyhedral Surfaces

We present an algorithm for computing exact shortest paths, and consequently distances, from a generalized source (point, segment, polygonal chain or polygonal region) on a possibly non-convex polyhedral surface in which polygonal chain or polygon obstacles are allowed. We also present algorithms for computing discrete Voronoi diagrams of a set of generalized sites (points, segments, polygonal chains or polygons) on a polyhedral surface with obstacles. To obtain the discrete Voronoi diagrams our algorithms, exploiting hardware graphics capabilities, compute shortest path distances defined by the sites

Gauge formulation for higher order gravity

This work is an application of the second order gauge theory for the Lorentz group, where a description of the gravitational interaction is obtained that includes derivatives of the curvature. We analyze the form of the second field strength, G=partial derivative F+fAF, in terms of geometrical variables. All possible independent Lagrangians constructed with quadratic contractions of F and quadratic contractions of G are analyzed. The equations of motion for a particular Lagrangian, which is analogous to Podolsky's term of his generalized electrodynamics, are calculated. The static isotropic solution in the linear approximation was found, exhibiting the regular Newtonian behavior at short distances as well as a meso-large distance modification.

Multiple-time higher-order perturbation analysis of the regularized long-wavelength equation

By considering the long-wavelength limit of the regularized long wave (RLW) equation, we study its multiple-time higher-order evolution equations. As a first result, the equations of the Korteweg-de Vries hierarchy are shown to play a crucial role in providing a secularity-free perturbation theory in the specific case of a solitary-wave solution. Then, as a consequence, we show that the related perturbative series can be summed and gives exactly the solitary-wave solution of the RLW equation. Finally, some comments and considerations are made on the N-soliton solution, as well as on the limitations of applicability of the multiple-scale method in obtaining uniform perturbative series.

Consistent higher derivative quantum field theory: A model without tachyons and ghosts

We present a higher derivative gauge theory in (2 + 1) dimensions which can have its parameters suitably tuned in order to become a consistent quantum field theory, in the sense that both tachyons and ghosts are absent from the particle spectrum of the theory.

Collective scattering of massive stars in higher order gravity

In the weak field approximation of higher order gravity theory a gravitational potential is described by a Newtonian plus a Yukawa-like term. This new term is used to explain some aspects of galactic dynamics, without considering dark matter. Its presence modifies the scattering probability of a massive intruder star and relaxation time of the stellar system.

Braneworlds scenarios in a gravity model with higher order spatial three-curvature terms

In this work we study a Hořava-like 5-dimensional model in the context of braneworld theory. The equations of motion of such model are obtained and, within the realm of warped geometry, we show that the model is consistent if and only if λ takes its relativistic value 1. Furthermore, we show that the elimination of problematic terms involving the warp factor second order derivatives are eliminated by imposing detailed balance condition in the bulk. Afterwards, Israel's junction conditions are computed, allowing the attainment of an effective Lagrangian in the visible brane. In particular, we show that the resultant effective Lagrangian in the brane corresponds to a (3 + 1)-dimensional Hořava-like model with an emergent positive cosmological constant but without detailed balance condition. Now, restoration of detailed balance condition, at this time imposed over the brane, plays an interesting role by fitting accordingly the sign of the arbitrary constant β, insuring a positive brane tension and a real energy for the graviton within its dispersion relation. Also, the brane consistency equations are obtained and, as a result, the model admits positive brane tensions in the compactification scheme if, and only if, β is negative and the detailed balance condition is imposed. © 2013 Springer-Verlag Berlin Heidelberg and Società Italiana di Fisica.

Higher-Order Concurrency: Expressiveness and Decidability Results

Higher-order process calculi are formalisms for concurrency in which processes can be passed around in communications. Higher-order (or process-passing) concurrency is often presented as an alternative paradigm to the first order (or name-passing) concurrency of the pi-calculus for the description of mobile systems. These calculi are inspired by, and formally close to, the lambda-calculus, whose basic computational step ---beta-reduction--- involves term instantiation. The theory of higher-order process calculi is more complex than that of first-order process calculi. This shows up in, for instance, the definition of behavioral equivalences. A long-standing approach to overcome this burden is to define encodings of higher-order processes into a first-order setting, so as to transfer the theory of the first-order paradigm to the higher-order one. While satisfactory in the case of calculi with basic (higher-order) primitives, this indirect approach falls short in the case of higher-order process calculi featuring constructs for phenomena such as, e.g., localities and dynamic system reconfiguration, which are frequent in modern distributed systems. Indeed, for higher-order process calculi involving little more than traditional process communication, encodings into some first-order language are difficult to handle or do not exist. We then observe that foundational studies for higher-order process calculi must be carried out directly on them and exploit their peculiarities. This dissertation contributes to such foundational studies for higher-order process calculi. We concentrate on two closely interwoven issues in process calculi: expressiveness and decidability. Surprisingly, these issues have been little explored in the higher-order setting. Our research is centered around a core calculus for higher-order concurrency in which only the operators strictly necessary to obtain higher-order communication are retained. We develop the basic theory of this core calculus and rely on it to study the expressive power of issues universally accepted as basic in process calculi, namely synchrony, forwarding, and polyadic communication.

Higher order Sobolev Spaces and polyharmonic boundary value problems in Carnot Groups

The main task of this work is to present a concise survey on the theory of certain function spaces in the contexts of Hörmander vector fields and Carnot Groups, and to discuss briefly an application to some polyharmonic boundary value problems on Carnot Groups of step 2.

Higher-order perturbative relativistic corrections to energies and properties

Relativistic effects need to be considered in quantum-chemical calculations on systems including heavy elements or when aiming at high accuracy for molecules containing only lighter elements. In the latter case, consideration of relativistic effects via perturbation theory is an attractive option. Among the available techniques, Direct Perturbation Theory (DPT) in its lowest order (DPT2) has become a standard tool for the calculation of relativistic corrections to energies and properties.In this work, the DPT treatment is extended to the next order (DPT4). It is demonstrated that the DPT4 correction can be obtained as a second derivative of the energy with respect to the relativistic perturbation parameter. Accordingly, differentiation of a suitable Lagrangian, thereby taking into account all constraints on the wave function, provides analytic expressions for the fourth-order energy corrections. The latter have been implemented at the Hartree-Fock level and within second-order Møller-Plesset perturbaton theory using standard analytic second-derivative techniques into the CFOUR program package. For closed-shell systems, the DPT4 corrections consist of higher-order scalar-relativistic effects as well as spin-orbit corrections with the latter appearing here for the first time in the DPT series.Relativistic corrections are reported for energies as well as for first-order electrical properties and compared to results from rigorous four-component benchmark calculations in order to judge the accuracy and convergence of the DPT expansion for both the scalar-relativistic as well as the spin-orbit contributions. Additionally, the importance of relativistic effects to the bromine and iodine quadrupole-coupling tensors is investigated in a joint experimental and theoretical study concerning the rotational spectra of CH2BrF, CHBrF2, and CH2FI.