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SUMMARY:Functional theory of the occupied spectral density and solution of
  its dynamical Euler-Lagrange equations - Prof. Andrea Ferretti
DTSTART:20260219T140000Z
DTEND:20260219T153000Z
UID:TALK236065@talks.cam.ac.uk
CONTACT:Bo Peng
DESCRIPTION:We address the problem of interacting electrons in an external
  potential by introducing the occupied spectral density as fundamental var
 iable.\nFirst we formulate the problem using an embedding framework and pr
 ove a one-to-one correspondence between a spectral density and the local\,
  dynamical external potential that embeds it into an open quantum system.\
 nThen\, we use the Klein functional to define a universal functional of th
 e spectral density\, introduce a variational principle for the total energ
 y\, and formulate a non-interacting mapping suitable for numerical applica
 tions.\nThe resulting equations\, which involve local and dynamical potent
 ials\, are then solved by using the algorithmic inversion method based on 
 a sum-over-poles to represent propagators. At variance with time-dependent
  density-functional theory\, this formulation aims at studying charged exc
 itations and electronic spectra with a functional theory\, although possib
 ly leading to accurate approximations for the total energy.\n\n
LOCATION:Seminar Room 3\, RDC
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