Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Correction of Density-Functional-Theory based polynomial interatomic
  potentials to reproduce experimental melting properties   Recently, we developed a method to construct polynomial interatomic
potentials from ab-initio calculations in order to accurately describe laser
excited solids [PRL 124, 085501 (2020)]. However, ab-initio methods, and
therefore analytical potentials derived from them, commonly do not provide an
accurate prediction of the melting temperature. In order to reproduce the
experimental melting properties, but keeping the accuracy in the laser excited
case, we present here an approach to modify few key coefficients of polynomial
interatomic potentials constructed from ab-initio data. We show that, with the
help of such corrections, the electronic-temperature dependent interatomic
potential for silicon can, at the same time, describe nonthermal laser induced
effects with ab-initio accuracy and also provide the correct experimental
melting temperature and slope $dT/dp$.

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The categories of this paper are: nucl-th
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The categories of this paper are: astro-ph
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The categories of this paper are: math-ph
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The categories of this paper are: solv-int
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The categories of this paper are: math
3
The categories of this paper are: physics
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The categories of this paper are: chao-dyn
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The categories of this paper are: funct-an
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The categories of this paper are: hep-th
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The categories of this paper are: gr-qc
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The categories of this paper are: chem-ph
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The categories of this paper are: plasm-ph
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The categories of this paper are: comp-gas
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The categories of this paper are: stat
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The categories of this paper are: nucl-ex
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The categories of this paper are: adap-org