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Xavier Andrade edited XC Functionals.tex
over 9 years ago
Commit id: 77d9a7f033d683889527ff3173a8c140c403e175
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Besides the functionals that are supported by Octopus, the code has
served as a platform for the testing and development of new
functionals. For example, the method described in section
\ref{sec:mbse} can be used in a
straighforward straightforward way to obtain reference
data against which to benchmark the performance of a given xc
functional. In that case, both calculations, exact and approximate,
make use of the same real-space grid approach, which makes the
comparison of the results obtained with both
straighforward. straightforward. Despite
the obvious advantage of using exact solutions of the many-body
problem as reference data, this is often not possible and one usually
needs to resort to the more commonly used experimental or