Exercise sheet 7 pdf

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Exercise sheet 6

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Exercise sheet 6 pdf

Exercises and solutions in PDF

Theoretical rovibrational line intensities in the electronic ground state of ozone

First-principles calculations of absolute line intensities and rovibrational energies of ozone (O-16(3)) are reported using potential energy and electric dipole moment functions calculated by the internally contracted MRCI approach. The rovibrational energies and eigenfunctions (up to about 8500 cm(-1) and J = 64) were obtained variationally with an exact Hamiltonian in internal valence coordinates. More than 4.8 x 10(6) electric dipole transition matrix elements were calculated for the absolute rovibrational line intensities. They are compared with the values of the HITRAN database. The purely rotational absolute line intensities in the (000) state and the rovibrational intensities for the (001)-(000) band agree to within about 0.3 to 1% for the (0 10)-(000) band to within about 3 to 4%. Excellent agreement with experiment is also achieved for low-lying overtone and combination bands. Inconsistencies are found for the (100)-(000) band overlapping with the antisymmetric stretching fundamental and also for the (002)-(000) antisymmetric stretching overtone. The generated dipole moment function can be used for predicting the absorption intensities in any of the heavier isotopomers, hot bands or the rates of spontaneous emission.

Conditioning of the weak-constraint variational data assimilation problem for numerical weather prediction

4-Dimensional Variational Data Assimilation (4DVAR) assimilates observations through the minimisation of a least-squares objective function, which is constrained by the model flow. We refer to 4DVAR as strong-constraint 4DVAR (sc4DVAR) in this thesis as it assumes the model is perfect. Relaxing this assumption gives rise to weak-constraint 4DVAR (wc4DVAR), leading to a different minimisation problem with more degrees of freedom. We consider two wc4DVAR formulations in this thesis, the model error formulation and state estimation formulation. The 4DVAR objective function is traditionally solved using gradient-based iterative methods. The principle method used in Numerical Weather Prediction today is the Gauss-Newton approach. This method introduces a linearised `inner-loop' objective function, which upon convergence, updates the solution of the non-linear `outer-loop' objective function. This requires many evaluations of the objective function and its gradient, which emphasises the importance of the Hessian. The eigenvalues and eigenvectors of the Hessian provide insight into the degree of convexity of the objective function, while also indicating the difficulty one may encounter while iterative solving 4DVAR. The condition number of the Hessian is an appropriate measure for the sensitivity of the problem to input data. The condition number can also indicate the rate of convergence and solution accuracy of the minimisation algorithm. This thesis investigates the sensitivity of the solution process minimising both wc4DVAR objective functions to the internal assimilation parameters composing the problem. We gain insight into these sensitivities by bounding the condition number of the Hessians of both objective functions. We also precondition the model error objective function and show improved convergence. We show that both formulations' sensitivities are related to error variance balance, assimilation window length and correlation length-scales using the bounds. We further demonstrate this through numerical experiments on the condition number and data assimilation experiments using linear and non-linear chaotic toy models.

Filtro kl/dvs para atenuação do ruído "ground roll"

In geophysics there are several steps in the study of the Earth, one of them is the processing of seismic records. These records are obtained through observations made on the earth surface and are useful for information about the structure and composition of the inaccessible parts in great depths. Most of the tools and techniques developed for such studies has been applied in academic projects. The big problem is that the seismic processing power unwanted, recorded by receivers that do not bring any kind of information related to the reflectors can mask the information and/or generate erroneous information from the subsurface. This energy is known as unwanted seismic noise. To reduce the noise and improve a signal indicating a reflection, without losing desirable signals is sometimes a problem of difficult solution. The project aims to get rid of the ground roll noise, which shows a pattern characterized by low frequency, low rate of decay, low velocity and high amplituds. The Karhunen-Loève Transform is a great tool for identification of patterns based on the eigenvalues and eigenvectors. Together with the Karhunen-Loève Transform we will be using the Singular Value Decomposition, since it is a great mathematical technique for manipulating data

Time Domain Analyses for Three-phase Lines with Corrected Modal Transformation Matrix

The results presented in this paper are based on a research about the application of approximated transformation matrices for electromagnetic transient analyses and simulations in transmission lines. Initially, it has developed the application of a single real transformation matrix for a double three-phase transmission lines, because the symmetry of the distribution of the phase conductors and the ground wires. After this, the same type of transformation matrix has applied for symmetrical single three-phase transmission lines. Analyzing asymmetrical single three-phase lines, it has used three different line configurations. For these transmission line types, the errors between the eigenvalues and the approximated results, called quasi modes, have been considered negligible. on the other hand, the quasi mode eigenvalue matrix for each case was not a diagonal one. and the relative values of the off-diagonal elements of the approximated quasi mode matrix are not negligible, mainly for the low frequencies. Based on this problem, a correction procedure has been applied for minimizing the mentioned relative values. For the correction procedure application, symmetrical and asymmetrical single three-phase transmission line samples have been used. Checking the correction procedure results, analyses and simulations have been carried out in mode and time domain. In this paper, the last results of mentioned research are presented and they related to the time domain simulations.

Generalized ladder operators for shape-invariant potentials

A general form for ladder operators is used to construct a method to solve bound-state Schrödinger equations. The characteristics of supersymmetry and shape invariance of the system are the start point of the approach. To show the elegance and the utility of the method we use it to obtain energy spectra and eigenfunctions for the one-dimensional harmonic oscillator and Morse potentials and for the radial harmonic oscillator and Coulomb potentials.

Análise de transitórios eletromagnéticos utilizando matrizes de transformação reais-sistemas trifásicos com a presença de cabos pára-raios

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Existência da função de Lyapunov

Pós-graduação em Matemática - IBILCE

Identificação de parâmetros modais utilizando apenas as respostas da estrutura: identificação estocástica de subespaço e decomposição no domínio da frequência

Pós-graduação em Engenharia Mecânica - FEIS

Estimação de rigidezes de mancais de rotores por análise de sensibilidade

Pós-graduação em Engenharia Mecânica - FEIS

Mecânica quântica supersimétrica: aplicações

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Modified routine for decreasing numeric oscillations at associations of lumped elements

Some changes in the application of the numeric trapezoidal integration are analyzed for applications considering pi circuits. It is considered numeric and computational proceedings for improving the numeric results obtained with associations of pi circuits. In numeric integration solutions of the linear systems, it is common to represent these associations of pi circuits by only one matrix. This representation introduces undesirable numeric oscillations in simulations of the dynamics of wave propagation in electrical systems. The proposed changes improve the results of application of cascades of pi circuits associated to the trapezoidal integration, avoiding that the numerical oscillations, or Gibb's oscillations, have high values and are slowly damped. For the carried out simulations, different number of pi circuits and voltage sources are checked, confirming the reduction of the influence of the numeric oscillations on the obtained results. (C) 2014 Elsevier B.V. All rights reserved.

Técnica do Grupo de Renormalização Numérico (GRN) aplicada em quantum dots

Pós-graduação em Física - IGCE