Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Time-dependent density-matrix functional theory for trion excitations:
  application to monolayer MoS2   We study possible optically excited bound states in monolayer MoS2: excitons
and trions. For this purpose we formulate and apply a generalized
time-dependent density-matrix functional approach for bound states of multiple
excitations. The approach was used in the cases of three different types of the
exchange-correlation (XC) kernel: 1) two local kernels: a phenomenological
contact and the adiabatic local-density approximation (ALDA) (X and XC); 2)
gradient-corrected X kernels: GEA, PW91 and PBE; and 3) two long-range (LR)
kernels: a phenomenological (Coulomb) and Slater kernels. In the case of
exciton, we find that LDA and its gradient-corrected kernels lead to too weak
binding energy comparing to the experimental data, while the LR kernels are
capable to reproduce the experimental results. Similarly, in the LR case (as
well as in the case of local kernel), one can obtain the experimental value of
the trion binding energy by taking into account the screening effects. Our
results suggest that similar to the excitons, the LR structure of the XC kernel
is necessary to describe the trion bound states. Our calculations for the first
time confirm theoretically with time-dependent density-functional theory
approach that in agreement with experimental data the exciton and trion binding
energies are of order of hundreds (excitons) and tenth (trions) meVs, which can
be used in different technological applications at the room temperature regime.
The approach can be straightforwardly extended on the case of bound states and
nonequilibrium response of systems with larger number of bound electrons and
holes, including biexcitons.

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The categories of this paper are: hep-ph
36
The categories of this paper are: cmp-lg
37
The categories of this paper are: supr-con
26
The categories of this paper are: bayes-an
33
The categories of this paper are: plasm-ph
31
The categories of this paper are: ao-sci
13
The categories of this paper are: quant-ph
29
The categories of this paper are: funct-an
28
The categories of this paper are: alg-geom
2
The categories of this paper are: math
22
The categories of this paper are: chao-dyn
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The categories of this paper are: eess
5
The categories of this paper are: gr-qc
10
The categories of this paper are: q-bio
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The categories of this paper are: q-fin
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The categories of this paper are: nucl-ex