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Update pub.bib (#204)
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RussellHu41 authored Dec 26, 2024
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@Article{Jin_JPhysCondensMatterInstPhysJ_2021_v33_p325503,
author = {Gan Jin and Daye Zheng and Lixin He},
title = {{Calculation of Berry curvature using non-orthogonal atomic orbitals}},
journal = {J. Phys., Condens. Matter: Inst. Phys. J.},
year = 2021,
volume = 33,
number = 32,
pages = 325503,
doi = {10.1088/1361-648X/ac05e5},
abstract = {We present a derivation of the full formula to calculate the Berry
curvature on non-orthogonal numerical atomic orbital (NAO) bases.
Because usually, the number of NAOs is larger than that of the Wannier
bases, we use a orbital contraction method to reduce the basis sizes,
which can greatly improve the calculation efficiency without
significantly reducing the calculation accuracy. We benchmark the
formula by calculating the Berry curvature of ferroelectric BaTiO3and
bcc Fe, as well as the anomalous Hall conductivity for Fe. The results
are in excellent agreement with the finite-difference and previous
results in the literature. We find that there are corrections terms to
the Kubo formula of the Berry curvature. For the full NAO base, the
differences between the two methods are negligibly small, but for the
reduced bases sets, the correction terms become larger, which may not
be neglected in some cases. The formula developed in this work can
readily be applied to the non-orthogonal generalized Wannier
functions.},
}

@Article{Chen_PhysRevB_2009_v80_p165121,
author = {Mohan Chen and Wei Fang and G.-Z. Sun and G.-C. Guo and Lixin He},
title = {{Method to construct transferable minimal basis sets forab
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