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SUMMARY:Magnon Dispersions via Noncollinear Time-Dependent Density-Functio
 nal Perturbation Theory with Hubbard-Corrected Functionals
DTSTART:20261014T130000Z
DTEND:20261014T140000Z
DTSTAMP:20261012T091000Z
UID:indico-event-19438@indico.psi.ch
CONTACT:matthias.krack@psi.ch
DESCRIPTION:Speakers: Ermanno Botti (PSI)\n\nMagnon dispersions are usuall
 y obtained indirectly\, by mapping total energies onto a Heisenberg model.
  A more direct route is to compute the dynamical spin susceptibility\, who
 se poles give the magnons without assuming any model Hamiltonian. TDDFPT g
 ives access to this quantity efficiently through the Liouville–Lanczos a
 pproach\, implemented in the TURBOMAGNON code of QUANTUM ESPRESSO. Combine
 d with Hubbard functionals with U computed from first principles\, this fr
 amework already reproduces the measured magnon dispersions of NiO and MnO.
  In this talk\, I will present the current status of the implementation\, 
 the challenges encountered\, and how we are addressing them. So far\, the 
 noncollinear resonant and antiresonant Sternheimer equations have been der
 ived and implemented\, including the Hartree and exchange-correlation kern
 el. The implementation of the Hubbard kernel is currently in progress. The
  final goal is an efficient\, parameter-free computational tool for predic
 ting spin dynamics in complex magnetic materials.\n\nhttps://indico.psi.ch
 /event/19438/
LOCATION:OVGA/200
URL:https://indico.psi.ch/event/19438/
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