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David Strubbe edited XC Functionals.tex
over 9 years ago
Commit id: 9b6f24bbbd2dd5e0fcc7009461de3972cea2a96a
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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
highly-accurate
quantum chemistry quantum-chemistry data. In this case, the flexibility
of the real-space method, allowing for the calculation of many
different properties of a wide variety of systems, is again an
advantage. Octopus has therefore been
used, among others, used to benchmark
the performance of xc functionals whose potential has a correct
asymptotic behavior~\cite{Oliveira_2010} when calculating ionization
potentials and static polarizabilities of atoms, molecules, and