TY - JOUR
T1 - Frequency-dependent local interactions and low-energy effective models from electronic structure calculations
AU - Aryasetiawan, F.
AU - Imada, M.
AU - Georges, A.
AU - Kotliar, G.
AU - Biermann, S.
AU - Lichtenstein, A. I.
N1 - Funding Information:
We thank Y. Asai for useful comments. We would like to acknowledge hospitality of the Kavli Institute for Theoretical Physics (KITP at UC-Santa Barbara) where this work was initiated, and partially supported by Grant No. NSF-PHY99-07949. G.K acknowledges NSF, Grant No. DMR-0096462, and F.A acknowledges the support from NAREGI Nanoscience Project, Ministry of Education, Culture, Sports, Science and Technology, Japan. We also acknowledge the support of an international collaborative grant from CNRS (PICS 1062), of an RTN network of the European Union and of IDRIS Orsay (Grant No. 031393).
PY - 2004/11
Y1 - 2004/11
N2 - 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 first principles, using the random-phase approximation. We derive an expression for the frequency-dependent U(ω) and show, for the case of nickel, that its high-frequency part has significant influence on the spectral functions. We propose a scheme for taking into account the energy dependence of U(ω), so that a model with an energy-independent local interaction can still be used for low-energy properties.
AB - 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 first principles, using the random-phase approximation. We derive an expression for the frequency-dependent U(ω) and show, for the case of nickel, that its high-frequency part has significant influence on the spectral functions. We propose a scheme for taking into account the energy dependence of U(ω), so that a model with an energy-independent local interaction can still be used for low-energy properties.
UR - http://www.scopus.com/inward/record.url?scp=12344253719&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=12344253719&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.70.195104
DO - 10.1103/PhysRevB.70.195104
M3 - Article
AN - SCOPUS:12344253719
SN - 0163-1829
VL - 70
SP - 1
EP - 8
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 19
M1 - 195104
ER -