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BEGIN:VEVENT
DTSTAMP:20240303T092355Z
UID:https://www.mpsd.mpg.de/events/9067/17181
DTSTART:20170222T090000Z
DTEND:20170222T100000Z
CLASS:PUBLIC
CREATED:20170215T154456Z
DESCRIPTION: Density functional theory in finite basis sets tends to degene
rate to one-body reduced (1RDM) functional theory. As all calculations are
done in finite basis sets\, a rigorous foundation of 1RDM functional theo
ry is desirable. To avoid uniqueness problems in the potential to 1RDM map
ping\, I will discuss the foundations of 1RDM functional theory in finite
basis sets at finite temperatures\, both for fermions and bosons. The ferm
ionic case turns out to be relatively straightforward\, but the bosonic ca
se requires more care. The main result is that we can rigorously proof v-r
epresentability and functional differentiability in this setting.\nSpeaker
: Klaas Giesbertz
LAST-MODIFIED:20170215T154456Z
LOCATION:CFEL (Bldg. 99)\, Room: Seminar Room IV\, O1.111
ORGANIZER:Angel Rubio
SUMMARY:MPSD Seminar: Klaas Giesbertz - One-body reduced density matrix to
potential mapping in finite basis sets at elevated temperatures One-body r
educed density matrix to potential mapping in finite basis sets at elevate
d temperatures
URL:https://www.mpsd.mpg.de/events/9067/17181
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