Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: A Formulation of the Ring Polymer Molecular Dynamics   The exact formulation of the path integral centroid dynamics is extended to
include composites of the position and momentum operators. We present the
generalized centroid dynamics (GCD), which provides a basis to calculate
Kubo-transformed correlation functions by means of classical averages. We
define various types of approximate GCD, one of which is equivalent to the ring
polymer molecular dynamics (RPMD). The RPMD and another approximate GCD are
tested in one-dimensional harmonic system, and it is shown that the RPMD works
better in the short time region.

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The categories of this paper are: math-ph
35
The categories of this paper are: mtrl-th
36
The categories of this paper are: cmp-lg
10
The categories of this paper are: q-bio
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The categories of this paper are: acc-phys
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The categories of this paper are: chem-ph
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The categories of this paper are: q-alg
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The categories of this paper are: stat
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The categories of this paper are: funct-an
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The categories of this paper are: q-fin
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The categories of this paper are: patt-sol
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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: dg-ga
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The categories of this paper are: nucl-th