Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Mixed ab initio quantum mechanical and Monte Carlo calculations of
  secondary emission from SiO2 nanoclusters   A mixed quantum mechanical and Monte Carlo method for calculating Auger
spectra from nanoclusters is presented. The approach, based on a cluster
method, consists of two steps. Ab initio quantum mechanical calculations are
first performed to obtain accurate energy and probability distributions of the
generated Auger electrons. In a second step, using the calculated line shape as
electron source, the Monte Carlo method is used to simulate the effect of
inelastic losses on the original Auger line shape. The resulting spectrum can
be directly compared to 'as-acquired' experimental spectra, thus avoiding
background subtraction or deconvolution procedures. As a case study, the O K-LL
spectrum from solid SiO2 is considered. Spectra computed before or after the
electron has traveled through the solid, i.e., unaffected or affected by
extrinsic energy losses, are compared to the pertinent experimental spectra
measured within our group. Both transition energies and relative intensities
are well reproduced.

11
The categories of this paper are: hep-lat
8
The categories of this paper are: hep-ex
34
The categories of this paper are: chem-ph
29
The categories of this paper are: funct-an
5
The categories of this paper are: gr-qc
20
The categories of this paper are: acc-phys
1
The categories of this paper are: cs
37
The categories of this paper are: supr-con
3
The categories of this paper are: physics
30
The categories of this paper are: q-alg
7
The categories of this paper are: hep-th
13
The categories of this paper are: quant-ph
27
The categories of this paper are: comp-gas
9
The categories of this paper are: nlin
26
The categories of this paper are: bayes-an
14
The categories of this paper are: math-ph