Cálculo de funções de Wannier eletrônicas para aplicações em ciência dos materiais

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

O cálculo variacional e o problema da braquistócrona

Pós-graduação em Matemática Universitária - IGCE

Cálculo variacional: aspectos teóricos e aplicações

Pós-graduação em Matemática Universitária - IGCE

Braquistócrona

Pós-graduação em Matemática em Rede Nacional - IBILCE

Confined Lennard-Jones potential: a variational treatment

In this work, the energy eigenvalues for the confined Lennard-Jones potential are calculated through the Variational Method allied to the Super symmetric Quantum Mechanics. Numerical results are obtained for different energy levels, parameters of the potential and values of confinement radius. In the limit, where this radius assumes great values, the results for the non-confined case are recovered..

Variational supersymmetric approach to evaluate Fokker-Planck probability

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Regge calculus in teleparallel gravity

In the context of the teleparallel equivalent of general relativity, the Weitzenbock manifold is considered as the limit of a suitable sequence of discrete lattices composed of an increasing number of smaller and smaller simplices, where the interior of each simplex (Delaunay lattice) is assumed to be flat. The link lengths l between any pair of vertices serve as independent variables, so that torsion turns out to be localized in the two-dimensional hypersurfaces (dislocation triangle, or hinge) of the lattice. Assuming that a vector undergoes a dislocation in relation to its initial position as it is parallel transported along the perimeter of the dual lattice (Voronoi polygon), we obtain the discrete analogue of the teleparallel action, as well as the corresponding simplicial vacuum field equations.

Convergent variational calculation of positronium-hydrogen-atom scattering lengths

We present a convergent variational basis-set calculational scheme for elastic scattering of the positronium atom by the hydrogen atom in S wave. Highly correlated trial functions with appropriate symmetry are needed to achieve convergence. We report convergent results for scattering lengths in atomic units for both singlet (= 3.49 +/-0.20) and triplet (= 2.46 +/-0.10) states.

Variational fits to the lattice energy of heavy-light mesons

We perform variational calculations of heavy-light meson masses using a fitted formula to a lattice two-quark potential. We examine the light quark mass dependence of the meson mass using the Schrodinger equation and the Dirac equation. For the Dirac equation, a saddle-point variational principle is employed, since the Dirac Hamiltonian is not bound from below.

Variational Formulation for Quaternionic Quantum Mechanics

A quaternionic version of Quantum Mechanics is constructed using the Schwinger's formulation based on measurements and a Variational Principle. Commutation relations and evolution equations are provided, and the results are compared with other formulations.

Numerical and variational solutions of the dipolar Gross-Pitaevskii equation in reduced dimensions

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

Stochastic variational approach applied to 2, 3 and 4 alpha particles

A stochastic variational method is applied to calculate the binding energies and root-mean-square radii of 2, 3 and 4 alpha particles using an S-wave Ali-Bodmer potential. The results agree with other calculations. We discuss the application of the present method to study the universality in weakly-bound three and four-body systems in the context of ultracold atomic traps.

COMPLEX KOHN VARIATIONAL PRINCIPLE FOR 2-NUCLEON BOUND-STATE AND SCATTERING WITH THE TENSOR POTENTIAL

Complex Kohn variational principle is applied to the numerical solution of the fully off-shell Lippmann-Schwinger equation for nucleon-nucleon scattering for various partial waves including the coupled S-3(1), D-3(1), channel. Analytic expressions are obtained for all the integrals in the method for a suitable choice of expansion functions. Calculations with the partial waves S-1(0), P-1(1), D-1(2), and S-3(1)-D-3(1) of the Reid soft core potential show that the method converges faster than other solution schemes not only for the phase shift but also for the off-shell t matrix elements. We also show that it is trivial to modify this variational principle in order to make it suitable for bound-state calculation. The bound-state approach is illustrated for the S-3(1)-D-3(1) channel of the Reid soft-core potential for calculating the deuteron binding, wave function, and the D state asymptotic parameters. (c) 1995 Academic Press, Inc.