Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Implementation of Generalized Bloch Theorem Using Linear Combination of
  Pseudo-Atomic Orbitals   We have implemented the generalized Bloch theorem based on first-principles
calculations using a linear combination of pseudo-atomic orbitals (LCPAO) as
the basis sets. In order to test our implementation in a code, we examined
three systems that have been reported in experiments or other calculations,
namely, the carrier-induced spin-spiral ground state in the one-dimensional
model system, the spin stiffness of bcc-Fe, and the spin stiffness in a zigzag
graphene nanoribbon. We confirmed that our implementation gives good agreement
with experiments. Based on these results, we believe that our implementation of
the generalized Bloch theorem using an LCPAO is useful for predicting the
properties of complex magnetic materials. We also predicted a large reduction
(enhancement) of spin stiffness for the electron (hole) doping of zigzag-edge
graphene nanoribbon ferromagnetic states.

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The categories of this paper are: alg-geom
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The categories of this paper are: solv-int
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The categories of this paper are: hep-ph
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The categories of this paper are: quant-ph
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The categories of this paper are: nucl-th
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The categories of this paper are: atom-ph
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The categories of this paper are: nlin
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The categories of this paper are: comp-gas
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The categories of this paper are: q-alg
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The categories of this paper are: acc-phys
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The categories of this paper are: hep-ex
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The categories of this paper are: astro-ph
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The categories of this paper are: cmp-lg
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The categories of this paper are: q-fin
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The categories of this paper are: plasm-ph
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The categories of this paper are: bayes-an