Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Search for long lasting electronic coherence using on-the-fly ab initio
  semiclassical dynamics   Using a combination of high-level ab initio electronic structure methods with
efficient on-the-fly semiclassical evaluation of nuclear dynamics, we performed
a massive scan of small polyatomic molecules searching for a long lasting
oscillatory dynamics of the electron density triggered by the outer-valence
ionization. We observed that in most of the studied molecules, the sudden
removal of an electron from the system either does not lead to the appearance
of the electronic coherence, or the created coherences become damped by the
nuclear rearrangement on a time scale of a few femtoseconds. However, we report
several so far unexplored molecules with the electronic coherences lasting up
to 10 fs which can be good candidates for experimental studies. In addition, we
present the full-dimensional simulations of the electronic coherences coupled
to nuclear motion in several molecules which were studied previously only in
the fixed nuclei approximation.

11
The categories of this paper are: hep-lat
26
The categories of this paper are: bayes-an
29
The categories of this paper are: funct-an
0
The categories of this paper are: hep-ph
8
The categories of this paper are: hep-ex
37
The categories of this paper are: supr-con
33
The categories of this paper are: plasm-ph
1
The categories of this paper are: cs
14
The categories of this paper are: math-ph
5
The categories of this paper are: gr-qc
12
The categories of this paper are: nucl-th
23
The categories of this paper are: solv-int
24
The categories of this paper are: dg-ga
4
The categories of this paper are: cond-mat
21
The categories of this paper are: adap-org
6
The categories of this paper are: astro-ph