Construction of localized basis for dynamical mean field theory

I. Paul, G. Kotliar

Research output: Contribution to journalArticlepeer-review

5 Scopus citations


Many-body Hamiltonians obtained from first principles generally include all possible non-local interactions. But in dynamical mean field theory the non-local interactions are ignored, and only the effects of the local interactions are taken into account. The truncation of the non-local interactions is a basis dependent approximation. We propose a criterion to construct an appropriate localized basis in which the truncation can be carried out. This involves finding a basis in which a functional given by the sum of the squares of the local interactions with appropriate weight factors is maximized under unitary transformations of basis. We argue that such a localized basis is suitable for the application of dynamical mean field theory for calculating material properties from first principles. We propose an algorithm which can be used for constructing the localized basis. We test our criterion on a toy model and find it satisfactory.

Original languageEnglish (US)
Pages (from-to)189-193
Number of pages5
JournalEuropean Physical Journal B
Issue number2
StatePublished - May 2006

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


Dive into the research topics of 'Construction of localized basis for dynamical mean field theory'. Together they form a unique fingerprint.

Cite this