Alleviation of the Fermion-sign problem by optimization of many-body wave functions

We present a simple, robust and highly efficient method for optimizing all parameters of many-body wave functions in quantum Monte Carlo calculations, applicable to continuum systems and lattice models. Based on a strong zero-variance principle, diagonalization of the Hamiltonian matrix in the space spanned by the wav e function and its derivatives determines the optimal parameters. It systematically reduces the fixed-node error, as demonstrated by the calculation of the binding energy of the small but challenging C$_2$ molecule to the experimental accuracy of 0.02 eV

A heuristic framework for the bi-objective enhanced index tracking problem

The index tracking problem is the problem of determining a portfolio of assets whose performance replicates, as closely as possible, that of a financial market index chosen as benchmark. In the enhanced index tracking problem the portfolio is expected to outperform the benchmark with minimal additional risk. In this paper, we study the bi-objective enhanced index tracking problem where two competing objectives, i.e., the expected excess return of the portfolio over the benchmark and the tracking error, are taken into consideration. A bi-objective Mixed Integer Linear Programming formulation for the problem is proposed. Computational results on a set of benchmark instances are given, along with a detailed out-of-sample analysis of the performance of the optimal portfolios selected by the proposed model. Then, a heuristic procedure is designed to build an approximation of the set of Pareto optimal solutions. We test the proposed procedure on a reference set of Pareto optimal solutions. Computational results show that the procedure is significantly faster than the exact computation and provides an extremely accurate approximation

Exchange and correlation near the nucleus in density functional theory

The near nucleus behavior of the exchange-correlation potential $v_{xc}({\bf r})$ in Hohenberg-Kohn-Sham density functional theory is investigated. It is shown that near the nucleus the linear term of $O(r)$ of the spherically averaged exchange-correlation potential ${\bar v}_{xc}(r)$ is nonzero, and that it arises purely from the difference between the kinetic energy density at the nucleus of the interacting system and the noninteracting Kohn-Sham system. An analytical expression for the linear term is derived. Similar results for the exchange $v_{x}({\bf r})$ and correlation $v_{c}({\bf r})$ potentials are also obtained separately. It is further pointed out that the linear term in $v_{xc}({\bf r})$ arising mainly from $v_{c}({\bf r})$ is rather small, and $v_{xc}({\bf r})$ therefore has a nearly quadratic structure near the nucleus. Implications of the results for the construction of the Kohn-Sham system are discussed with examples.Comment: 10 page

Identification of RAPD marker linked to blast resistance gene in a somaclone of rice cultivar Araguaia.

O gene Pi-ar confere resistência para a raça IB-45 de Pyricularia grisea no somaclone derivado de panículas imaturas da cultivar de arroz (Oryza sativa) Araguaia. A técnica RAPD foi usada para identificar marcadores ligados a este gene utilizando a análise de misturas segregantes. Inicialmente o DNA do pai doador resistente SC09 e da cultivar Araguaia foram analisados usando primers arbitrários. Dos 240 primers, 203 produziram produtos amplificados. O DNA dos pais e dos bulks resistente e suscetível da população F2 foram testados usando 48 primers que diferenciaram os pais resistente e suscetível. Enquanto oito primers diferenciaram o bulk resistente do suscetível bem como o somaclone SC09 e Araguaia, somente o primer OPC02 ('GTGAGGCGTC') estava fortemente ligado (1,7cM) ao gene de resistência do somaclone SC09