47 research outputs found
Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach
We present an approach to solid-state electronic-structure calculations based
on the finite-element method. In this method, the basis functions are strictly
local, piecewise polynomials. Because the basis is composed of polynomials, the
method is completely general and its convergence can be controlled
systematically. Because the basis functions are strictly local in real space,
the method allows for variable resolution in real space; produces sparse,
structured matrices, enabling the effective use of iterative solution methods;
and is well suited to parallel implementation. The method thus combines the
significant advantages of both real-space-grid and basis-oriented approaches
and so promises to be particularly well suited for large, accurate ab initio
calculations. We develop the theory of our approach in detail, discuss
advantages and disadvantages, and report initial results, including the first
fully three-dimensional electronic band structures calculated by the method.Comment: replacement: single spaced, included figures, added journal referenc
Vortex-nucleus interaction in the inner crust of neutron stars
The structure of a vortex in the inner crust of neutron stars is calculated
within the framework of quantum mean field theory taking into account the
interaction with the nuclei composing the Coulomb lattice. Making use of the
results obtained with different nuclear interactions, the pinning energy,
relevant in the study of glitches, is worked out. Quantal size and density
dependent effects are found to be important