Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Alternative difference analysis scheme combining R-space EXAFS fit with
  global optimization XANES fit for X-ray transient absorption spectroscopy   Time-resolved X-ray absorption spectroscopy (TR-XAS), based on
laser-pump/X-ray probe method, is powerful in capturing the change of
geometrical and electronic structure of the absorbing atom upon excitation.
TR-XAS data analysis is generally performed on the laser-on minus laser-off
difference spectrum. Here we present a new analysis scheme for the TR-XAS
difference fitting in both the Extended X-Ray Absorption Fine Structure (EXAFS)
and the X-ray Absorption Near Edge Structure (XANES) region. R-space EXAFS
difference fitting could quickly give main quantitative structure change of the
first shell and provide reliable constraint on the range of the variables in
XANES fit. XANES fitting part introduces global non-derivative optimization
algorithm and optimizes the local structure change in a flexible way where both
the core XAS calculation package and the search method in the fitting shell are
changeable. The scheme was applied to the TR-XAS difference analysis of
Fe(phen)3 spin crossover complex and yielded the reliable distance change and
the excitation population.

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The categories of this paper are: q-alg
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The categories of this paper are: math
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The categories of this paper are: dg-ga
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The categories of this paper are: stat
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The categories of this paper are: astro-ph
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The categories of this paper are: hep-lat
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The categories of this paper are: chem-ph
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The categories of this paper are: chao-dyn
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The categories of this paper are: econ
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The categories of this paper are: adap-org
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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: solv-int
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The categories of this paper are: nlin
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The categories of this paper are: cmp-lg
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The categories of this paper are: atom-ph