Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: An analytical approach for calculating transfer integrals in
  superexchange coupled dimers   An analytical expression for the transfer integral HAB between the localized
magnetic orbitals in superexchange-coupled dimers as a function of the type of
atoms and geometry of the molecule has been derived by explicitly including
orbital interactions. It is shown that HAB plays the key role for the magnetic
coupling constant J in understanding magneto-structural correlations. The
reliability and capability of this approach is confirmed by comparison with
numerical electronic structure calculations in the local spin-density
approximation on singly and doubly bridged Cu(II)-dimers with fluorine ligands.
All results can be calculated and understood within the analytical formalism
representing, therefore, a powerful tool for understanding the
magneto-structural correlations and also for constructing magnetic orbitals
analytically.

3
The categories of this paper are: physics
26
The categories of this paper are: bayes-an
14
The categories of this paper are: math-ph
5
The categories of this paper are: gr-qc
13
The categories of this paper are: quant-ph
35
The categories of this paper are: mtrl-th
12
The categories of this paper are: nucl-th
18
The categories of this paper are: econ
16
The categories of this paper are: stat
27
The categories of this paper are: comp-gas
28
The categories of this paper are: alg-geom
24
The categories of this paper are: dg-ga
6
The categories of this paper are: astro-ph
37
The categories of this paper are: supr-con
25
The categories of this paper are: patt-sol
30
The categories of this paper are: q-alg