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Electron-induced chemistry
When an electron is attached or transferred to a molecular system it
may transfer part of its energy to the molecule in form of electronic
or vibrational excitation, or it may induce chemical reactions,
e.g. dissociative attachment. This is a major radical production step
in many natural and technical processes. |
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Dipole-bound, quadrupole-bound, and
polarization bound anions
This type of excess electron state is intrinsically fascinating, and if a
molecule can also form a valence anion, the dipole-bound state can serve as a
doorway for capture of slow (thermal) electrons.
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Excess electrons attached to water clusters
A single water molecule cannot bind an electron, but several water molecules
can team-up for the job. The resulting cluster anions are very challenging
systems from a theoretical point of view, and we develop course grained models
to describe these species.
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Ab initio methods for resonance states
Resonances are states unstable with respect to electron autodetachment, i.e.,
one electron can simply leave the molecule, and the resonance state has a
finite lifetime. Standard bound state ab initio
methods cannot be directly applied to this type of state, but need to be
modified to account for the finite lifetime of the system.
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