Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Correlated sampling in quantum Monte Carlo: a route to forces   In order to find the equilibrium geometries of molecules and solids and to
perform ab initio molecular dynamics, it is necessary to calculate the forces
on the nuclei. We present a correlated sampling method to efficiently calculate
numerical forces and potential energy surfaces in diffusion Monte Carlo. It
employs a novel coordinate transformation, earlier used in variational Monte
Carlo, to greatly reduce the statistical error. Results are presented for
first-row diatomic molecules.

17
The categories of this paper are: q-fin
23
The categories of this paper are: solv-int
36
The categories of this paper are: cmp-lg
11
The categories of this paper are: hep-lat
33
The categories of this paper are: plasm-ph
6
The categories of this paper are: astro-ph
8
The categories of this paper are: hep-ex
25
The categories of this paper are: patt-sol
21
The categories of this paper are: adap-org
37
The categories of this paper are: supr-con
22
The categories of this paper are: chao-dyn
9
The categories of this paper are: nlin
12
The categories of this paper are: nucl-th
10
The categories of this paper are: q-bio
28
The categories of this paper are: alg-geom
18
The categories of this paper are: econ