This project aims to develop a methid to perform calculations of materials properties, such as ground state, spectroscopy and transport, for the systems with strong Coulomb interactions, where standard density functional based approaches fail with a great error.
The novel electronic-structure approach which allows to compute strongly correlated systems is based on Dynamical Mean-Field Theory. The development is conducted in Department of Physics, University of California, Davis. The research is sponsored by the US Department of Energy, National Science Foundation , Office of Naval Research, and by Los Alamos National Laboratory,
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Recent applications of this approach involve investigations of ground state properties and excitational spectra for metallic Plutonium (S. Savrasov, G. Kotliar and E. Abrahams, Nature, 410, 793, 2001)