Effective Coulomb interactions in solids under pressure (2009)
Tomczak, Jan M., Miyake, T., Sakuma, R., Aryasetiawan, F.
Correlated materials are extremely sensitive to external stimuli, such as temperature or pressure. Describing the electronic properties of such systems often requires applying many-body techniques to...
What drives the insulating state in ultrathin films of SrRuO3? (2008)
Mahadevan, Priya, Aryasetiawan, F., Janotti, A., Sasaki, T.
Using density functional calculations we investigate the microscopic mechanisms behind the insulating state of ultra thin films of SrRuO3 grown on SrTiO3. We find that a combination of electron...
Downfolded Self-Energy of Many-Electron Systems (2008)
Aryasetiawan, F., Tomczak, J. M., Miyake, T., Sakuma, R.
Starting from the full many-body Hamiltonian of interacting electrons the effective self-energy acting on electrons residing in a subspace of the full Hilbert space is derived. This subspace may...
First-Principles Study of Correlation Effects in VO2: Peierls vs. Mott-Hubbard (2008)
Sakuma, R., Miyake, T., Aryasetiawan, F.
We present a study of VO2 in the rutile and monoclinic (M1) phases by means of all-electron full-potential LMTO GW calculation. Full frequency dependence and the off-diagonal matrix elements of the...
Screened Coulomb interaction in the maximally localized Wannier basis (2007)
Miyake, Takashi, Aryasetiawan, F.
We discuss a maximally localized Wannier function approach for constructing lattice models from first-principles electronic structure calculations, where the effective Coulomb interactions are...
Calculations of Hubbard U from first-principles (2006)
Aryasetiawan, F., Karlsson, K., Jepsen, O., Schonberger, U.
The Hubbard \emph{U} of the \emph{3d} transition metal series as well as SrVO$_{3}$, YTiO$_{3}$, Ce and Gd has been estimated using a recently proposed scheme based on the random-phase approximation....
Calculations of Hubbard U from first-principles (2006)
Aryasetiawan, F., Karlsson, K., Jepsen, O., Schönberger, U.
The Hubbard U of the 3d transition metal series as well as SrVO3, YTiO3, Ce, and Gd has been estimated using a recently proposed scheme based on the random-phase approximation. The values obtained...
Aryasetiawan, F., Imada, M., Georges, A., Kotliar, G., Biermann, S., Lichtenstein, A. I.
We propose a systematic procedure for constructing effective models of strongly correlated materials. The parameters, in particular the on-site screened Coulomb interaction U, are calculated from...
The alpha-gamma transition of Cerium is entropy-driven (2005)
Amadon, B., Biermann, S., Georges, A., Aryasetiawan, F.
We emphasize, on the basis of experimental data and theoretical calculations, that the entropic stabilization of the gamma-phase is the main driving force of the alpha-gamma transition of cerium in a...
Aryasetiawan, F., Imada, M., Georges, A., Kotliar, G., Biermann, S., Lichtenstein, A. I.
We propose a systematic procedure for constructing effective models of strongly correlated materials. The parameters, in particular the on-site screened Coulomb interaction U, are calculated from...
Aryasetiawan, F., Imada, M., Georges, A., Kotliar, G., Biermann, S., Lichtenstein, A. I.
We propose a systematic procedure for constructing effective models of strongly correlated materials. The parameters, in particular the on-site screened Coulomb interaction U, are calculated from...
Aryasetiawan, F., Imada, M., Georges, A., Kotliar, G., Biermann, S., Lichtenstein, A. I.
We propose a systematic procedure for constructing effective models of strongly correlated materials. The parameters, in particular the on-site screened Coulomb interaction U, are calculated from...
Strocov, V. N., Claessen, R., Aryasetiawan, F., Blaha, P., Nilsson, P. O.
Excited-state self-energy effects in the electronic structure of Cu, a prototype weakly correlated system containing states with different degrees of localization, are investigated with emphasis on...
Biermann, S., Aryasetiawan, F., Georges, A.
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...
Exchange-correlation kernel in time-dependent density functional theory (2002)
Aryasetiawan, F., Gunnarsson, O.
In time-dependent density-functional theory, an important quantity is the exchange-correlation kernel whose knowledge allows for the calculations of the excitation spectrum of electronic systems. In...
Excitation energies from time-dependent density-functional formalism for small systems (2002)
Aryasetiawan, F., Gunnarsson, O., Rubio, A.
As a test of the time-dependent local-density approximation (TDLDA), we study the (1)Sigma(g)(+) --> (1)Sigma(u)(+) excitation of H-2 as a function of the nuclear distance d. We find rather accurate...
Correlation effects in doped C60 compounds. (1998)
Kuzmany, H., Gunnarsson, O., Koch, E., Martin, R. M., Aryasetiawan, F.
Aryasetiawan, F., Gunnarsson, O.
Calculations of ground-state and excited-state properties of materials have been one of the major goals of condensed matter physics. Ground-state properties of solids have been extensively...
Pauli susceptibility of A3C60 (A=K, Rb) (1997)
Aryasetiawan, F., Gunnarsson, O., Koch, E., Martin, R. M.
The Pauli paramagnetic susceptibility of A3C60 (A= K, Rb) compounds is calculated. A lattice quantum Monte Carlo method is applied to a multi-band Hubbard model, including the on-site Coulomb...