Target Problems
- Linear optical (i.e. electronic) response of molecules or clusters, also second-order nonlinear response.
- Non-linear response to classical high-intensity electromagnetic fields, taking into account both the ionic and electronic degrees of freedom.
- Ground-state and excited state electronic properties of systems with lower dimensionality, such as quantum dots.
- Photo-induced reactions of molecules (e.g., photo-dissociation, photo-isomerization, etc.).
- In the immediate future, extension of these procedures to systems that are infinite and periodic in one or more dimensions (polymers, slabs, nanotubes, solids), and to electronic transport.
Read more about this topic: Octopus (software)
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