BEGIN:VCALENDAR
VERSION:2.0
PRODID:icalendar-ruby
CALSCALE:GREGORIAN
METHOD:PUBLISH
BEGIN:VTIMEZONE
TZID:Europe/Vienna
BEGIN:DAYLIGHT
DTSTART:20190331T030000
TZOFFSETFROM:+0100
TZOFFSETTO:+0200
RRULE:FREQ=YEARLY;BYDAY=-1SU;BYMONTH=3
TZNAME:CEST
END:DAYLIGHT
BEGIN:STANDARD
DTSTART:20181028T020000
TZOFFSETFROM:+0200
TZOFFSETTO:+0100
RRULE:FREQ=YEARLY;BYDAY=-1SU;BYMONTH=10
TZNAME:CET
END:STANDARD
END:VTIMEZONE
BEGIN:VEVENT
DTSTAMP:20260404T053029Z
UID:5c052f14c093e188525933@ist.ac.at
DTSTART:20190212T140000
DTEND:20190212T153000
DESCRIPTION:Speaker: Döme Tibor\nhosted by Misha Lemeshko\nAbstract: Almos
 t all of the quantitative approaches to the electronic structure of molecu
 les and materials are based on the orbital model\, which includes Hartree-
 Fock and Kohn-Sham density-functional theory: The wave function becomes a 
 Slater Determinant (SD)\, describing electrons interacting in a mean-field
  fashion. Residual errors are usually mitigated by incorporating coupled-c
 luster methods and perturbation theories. The orbital model is qualitative
 ly incorrect for systems where distinguishing between occupied and unoccup
 ied orbitals is unsuitable\, e.g. for complexes of lanthanides and actinid
 es. These systems are dubbed strongly correlated. Even a qualitatively cor
 rect description requires multiple SDs. A promising approach uses geminals
  (two-electron basis functions) as building blocks for the wave function. 
 This talk focuses on the simplest and most successful geminal method: the 
 antisymmetric product of 1-reference-orbital geminals (AP1roG).
LOCATION:Big Seminar room Ground floor / Office Bldg West (I21.EG.101)\, IS
 TA
ORGANIZER:cpetz@ist.ac.at
SUMMARY:Döme Tibor: A novel approach for strongly correlated systems: gemi
 nal-based wavefunction ansätze
URL:https://talks-calendar.ista.ac.at/events/1759
END:VEVENT
END:VCALENDAR