Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: On the role of physisorption states in molecular scattering: A
  semi-local density-functional theory study on O2/Ag(111)   We simulate the scattering of O$_2$ from Ag(111) with classical dynamics
simulations performed on a six-dimensional potential energy surface calculated
within semi-local density-functional theory (DFT). The enigmatic experimental
trends that originally required the conjecture of two types of repulsive walls,
arising from a physisorption and chemisorption part of the interaction
potential, are fully reproduced. Given the inadequate description of the
physisorption properties in semi-local DFT, our work casts severe doubts on the
prevalent notion to use molecular scattering data as indirect evidence for the
existence of such states.

17
The categories of this paper are: q-fin
9
The categories of this paper are: nlin
30
The categories of this paper are: q-alg
21
The categories of this paper are: adap-org
36
The categories of this paper are: cmp-lg
16
The categories of this paper are: stat
8
The categories of this paper are: hep-ex
20
The categories of this paper are: acc-phys
14
The categories of this paper are: math-ph
37
The categories of this paper are: supr-con
12
The categories of this paper are: nucl-th
18
The categories of this paper are: econ
24
The categories of this paper are: dg-ga
25
The categories of this paper are: patt-sol
29
The categories of this paper are: funct-an
32
The categories of this paper are: atom-ph