Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Linear Augmented Slater-Type Orbital Method for Free Standing Clusters   We have developed a Scalable Linear Augmented Slater-Type Orbital (LASTO)
method for electronic-structure calculations on free-standing atomic clusters.
As with other linear methods we solve the Schr\"odinger equation using a mixed
basis set consisting of numerical functions inside atom-centered spheres and
matched onto tail functions outside. The tail functions are Slater-type
orbitals, which are localized, exponentially decaying functions. To solve the
Poisson equation between spheres, we use a finite difference method replacing
the rapidly varying charge density inside the spheres with a smoothed density
with the same multipole moments. We use multigrid techniques on the mesh, which
yield the Coulomb potential on the spheres and in turn defines the potential
inside via a Dirichlet problem. To solve the linear eigen-problem, we use
ScaLAPACK, a well-developed package to solve large eigensystems with dense
matrices. We have tested the method on small clusters of palladium.

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The categories of this paper are: nlin
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The categories of this paper are: ao-sci
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The categories of this paper are: hep-th
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The categories of this paper are: quant-ph
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The categories of this paper are: astro-ph
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The categories of this paper are: econ
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The categories of this paper are: plasm-ph
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The categories of this paper are: bayes-an
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The categories of this paper are: adap-org
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The categories of this paper are: q-alg
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The categories of this paper are: physics
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The categories of this paper are: dg-ga
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The categories of this paper are: q-bio
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The categories of this paper are: stat
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The categories of this paper are: chem-ph
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The categories of this paper are: q-fin