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F Aryasetiawan

Publications and source records attributed to F Aryasetiawan.

15 recordsLinked to original sources
PubMed2003

First-principles approach to the electronic structure of strongly correlated systems: combining the GW approximation and dynamical mean-field theory.

We propose a dynamical mean-field approach for calculating the electronic structure of strongly correlated materials from first principles. The scheme combines the GW method with dynamical mean-field theory, which enables one to treat strong interaction effects. It avoids the conceptual problems inherent to conventional "LDA+DMFT," such as Hubbard interaction parameters and double-counting terms. We apply a simplified version of the approach to the electronic structure of nickel and find encouraging results.

Journal Article↗
PubMed2002

Total energy method from many-body formulation.

The fruitfulness of traditional many-body Green's function theory for calculating the total energy of real systems is demonstrated using the random phase approximation in the Luttinger-Ward formulation. As the first application to a real system, the total energy of H2 is calculated as a function of nuclear separation and compared with the configuration interaction and the local density approximation results. While the local density result is in large error for large separations, the present approach gives satisfactory agreement with the configuration interaction results. The method is promising as an alternative to the quantum Monte Carlo technique.

Journal Article↗