Phys. Rev. B 70, 195104 (2004) [8 pages]Frequency-dependent local interactions and low-energy effective models from electronic structure calculationsReceived 18 January 2004; revised 22 June 2004; published 11 November 2004 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. © 2004 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.70.195104
DOI:
10.1103/PhysRevB.70.195104
PACS:
71.10.Fd, 71.27.+a, 71.28.+d
|
|
About | Terms and Conditions | Subscriptions | Search | Help
Use of the American Physical Society websites and journals implies that the user has read and agrees to our Terms and Conditions and any applicable Subscription Agreement. Physical Review®, Physical Review Letters®, Reviews of Modern Physics®, and Physical Review Special Topics® are trademarks of the American Physical Society.