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SUMMARY:ASP Online Seminars: Exact Kohn-Sham Density Functional Theory on
a Lattice
DTSTART;VALUE=DATE-TIME:20210907T130000Z
DTEND;VALUE=DATE-TIME:20210907T143000Z
DTSTAMP;VALUE=DATE-TIME:20210928T025500Z
UID:indico-event-991252@indico.cern.ch
CONTACT:ASP-IOC@cern.ch\;kossi@aims.edu.gh
DESCRIPTION:Speakers: Kossi Amouzouvi (KNUST\, Ghana)\nAbstract:\n\nWe for
mulate a set of equations that facilitate an exact numerical solution of t
he Kohn-Sham potential for a finite Hubbard chain with nearest neighbour h
opping and arbitrary site potentials. The approach relies on a mapping of
the non-interacting Kohn-Sham ground state wave function onto the exact in
teracting system wave function and two interconnected self-consistent cycl
es. The self-consistent cycles are performed within the framework of the K
ohn-Sham non-interacting system without any direct reference to the intera
cting system. The first self-consistent cycle updates the mapping of the n
on-interacting wavefunction onto the interacting wavefunction based on a t
rial input density\, while the second self-consistent cycle updates the Ko
hn-Sham potential to yield the trial density. At the solution point\, our
algorithm yields the exact Kohn-Sham potential\, the correlation energy\,
and the ground-state energy of the interacting system.\n\n \n\nThis talk
will be followed by a short presentation of an initiative in mathematics c
alled Maths Camp. In this second part of my talk\, I will explain what is
a maths camp\, its objectives\, and how to get involved.\n\n \n\nKeywords
: Density Functional Theory\; Hubbard Model\; Lattice DFT\; Maths Camp\n\n
\nhttps://indico.cern.ch/event/991252/
URL:https://indico.cern.ch/event/991252/
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