11 |
Conectividade de variedades semi-algébricas / Connectivity of semialgebraic setsMaldonado, Juan Carlos Nuñez 07 April 2017 (has links)
Neste projeto apresentamos os teoremas de estrutura, decomposição celular, e o teorema da existência da triangulação para conjuntos semi-algébricos compactos. Como aplicações destes teoremas mostramos o lema de seleção da curva local e global. Além disso, apresentamos uma breve descrição da topologia da fibra de Milnor local e global, bem como alguns resultados sobre o grau de conexidade da fibra genérica global de uma função polinomial complexa, que mostram a íntima relação entre o grau de conexidade com a dimensão do conjunto singular. / In this project we present some structure theorems, cell decomposition, and the theorem on the existence of triangulation for compact semi-algebraic sets. As applications we prove the curve selection lemma in the local and global cases. Moreover, we present a brief description about the topology of local and global Milnor´s fibers, as well as, some results about the connectivity degree of the generic fibers of a complex polynomial function, that show the close relation between the connectivity degree and the dimension of the singular locus.
|
12 |
Conectividade de variedades semi-algébricas / Connectivity of semialgebraic setsJuan Carlos Nuñez Maldonado 07 April 2017 (has links)
Neste projeto apresentamos os teoremas de estrutura, decomposição celular, e o teorema da existência da triangulação para conjuntos semi-algébricos compactos. Como aplicações destes teoremas mostramos o lema de seleção da curva local e global. Além disso, apresentamos uma breve descrição da topologia da fibra de Milnor local e global, bem como alguns resultados sobre o grau de conexidade da fibra genérica global de uma função polinomial complexa, que mostram a íntima relação entre o grau de conexidade com a dimensão do conjunto singular. / In this project we present some structure theorems, cell decomposition, and the theorem on the existence of triangulation for compact semi-algebraic sets. As applications we prove the curve selection lemma in the local and global cases. Moreover, we present a brief description about the topology of local and global Milnor´s fibers, as well as, some results about the connectivity degree of the generic fibers of a complex polynomial function, that show the close relation between the connectivity degree and the dimension of the singular locus.
|
13 |
The Incremental Scheme - From Method Development to Applications in ChemistryFiedler, Benjamin 15 October 2020 (has links)
In this thesis, several development steps for the incremental method are presented. At first, the extension of the incremental scheme to other quantities than the energy is advanced in terms of molecular dipole moments. In this context, a revised error correction as well as the template localization for the treatment of aromatic systems are introduced. As a second enhancement, a new implementation of the template localization ensures a higher stability of this algorithm step and, thus, of the incremental scheme. Finally, pair natural orbitals (PNOs) are utilized in the incremental method with the aim of an increased efficiency. The PNO approach is re-assessed in context of the incremental expansion leading to both small incremental and PNO local errors for reaction, intermolecular interaction and cluster binding energies. The higher efficiency due to the twofold reduction of the computational efforts by the PNO and the incremental approaches is demonstrated for molecular clusters. Additionally, the complete basis set (CBS) limit is targetted by using the efficient MP2-based focal-point approach to the incremental scheme (with and without PNOs).
Finally, based on these improvements of the performance, the PNO-based incremental scheme is applied to support a computational study regarding the modelling of the reaction mechanism for the base-catalyzed twin polymerization.
|
Page generated in 0.1703 seconds