Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: An adaptive interpolation scheme for molecular potential energy surfaces   The calculation of potential energy surfaces for quantum dynamics can be a
time consuming task -- especially when a high level of theory for the
electronic structure calculation is required. We propose an adaptive
interpolation algorithm based on polyharmonic splines combined with a partition
of unity approach. The adaptive node refinement allows to greatly reduce the
number of sample points by employing a local error estimate. The algorithm and
its scaling behavior is evaluated for a model function in 2, 3 and 4
dimensions. The developed algorithm allows for a more rapid and reliable
interpolation of a potential energy surface within a given accuracy compared to
the non-adaptive version.

25
The categories of this paper are: patt-sol
12
The categories of this paper are: nucl-th
13
The categories of this paper are: quant-ph
9
The categories of this paper are: nlin
1
The categories of this paper are: cs
32
The categories of this paper are: atom-ph
5
The categories of this paper are: gr-qc
15
The categories of this paper are: nucl-ex
35
The categories of this paper are: mtrl-th
29
The categories of this paper are: funct-an
37
The categories of this paper are: supr-con
27
The categories of this paper are: comp-gas
23
The categories of this paper are: solv-int
22
The categories of this paper are: chao-dyn
0
The categories of this paper are: hep-ph
20
The categories of this paper are: acc-phys