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Quasi particle theory practical concepts for vertex corrections and total energies

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The proposed research project will deal with electronic and structural properties of crystalline solids within the framework of many-body theory. Starting from Hedin's GW approximation in a space-time formalism, the Green function method of computational many-body theory will be taken further and its scope broadened.
1. Feasible ways to go beyond the GW approximation with vertex corrections ('GW+') will be sought and critically tested on the excitation spectra of transition metal compounds.
2. A practical way to calculate the total energy within the Green function formalism will be developed. This will open a new access for better structural properties and cohesive energies of solids.
3. As a practical application of 1. and 2., the silicon-germanium (100) interface will be investigated. Discrepancies between theory and experiment concerning bond lengths and band offsets need a clarification. It is expected that an improved description of the charge density by Green function methods will play an important role.

Wissenschaftliches Gebiet (EuroSciVoc)

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Finanzierungsplan

RGI - Research grants (individual fellowships)

Koordinator

THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF CAMBRIDGE
EU-Beitrag
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Cavendish Laboratory, Madingley Road
CB3 0HE CAMBRIDGE
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