Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: A general method to describe intersystem crossing dynamics in trajectory
  surface hopping   Intersystem crossing is a radiationless process that can take place in a
molecule irradiated by UV-Vis light, thereby playing an important role in many
environmental, biological and technological processes. This paper reviews
different methods to describe intersystem crossing dynamics, paying attention
to semiclassical trajectory theories, which are especially interesting because
they can be applied to large systems with many degrees of freedom. In
particular, a general trajectory surface hopping methodology recently developed
by the authors, which is able to include non-adiabatic and spin-orbit couplings
in excited-state dynamics simulations, is explained in detail. This method,
termed SHARC, can in principle include any arbitrary coupling, what makes it
generally applicable to photophysical and photochemical problems, also those
including explicit laser fields. A step-by-step derivation of the main
equations of motion employed in surface hopping based on the fewest-switches
method of Tully, adapted for the inclusion of spin-orbit interactions, is
provided. Special emphasis is put on describing the different possible choices
of the electronic bases in which spin-orbit can be included in surface hopping,
highlighting the advantages and inconsistencies of the different approaches.

6
The categories of this paper are: astro-ph
22
The categories of this paper are: chao-dyn
18
The categories of this paper are: econ
5
The categories of this paper are: gr-qc
10
The categories of this paper are: q-bio
2
The categories of this paper are: math
27
The categories of this paper are: comp-gas
23
The categories of this paper are: solv-int
30
The categories of this paper are: q-alg
31
The categories of this paper are: ao-sci
32
The categories of this paper are: atom-ph
1
The categories of this paper are: cs
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The categories of this paper are: hep-th
28
The categories of this paper are: alg-geom
20
The categories of this paper are: acc-phys
16
The categories of this paper are: stat