Research report 2016 - Max Planck Institute for Solid State Research

Quantum chemical approaches to electronic structure theory for materials

Grüneis, Andreas; Alavi, Ali
Theorie der elektronischen Struktur
Quantum chemical approaches to the description of the electronic structure of real materials can be used to predict even strong electronic correlation effects with high accuracy. However, the scaling of the computational complexity to calculate and store the true many-electron wave function often makes these methods intractable. In this review we report on recent progress to reduce the computational complexity of wave function based methods for the study of molecules and solids.

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