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SUMMARY:Justyna Dominikowska (University of Lodz)
DTSTART:20240315T160000Z
DTEND:20240315T170000Z
DTSTAMP:20260423T021007Z
UID:QTech/19
DESCRIPTION:Title: <a href="https://researchseminars.org/talk/QTech/19/">K
 ohn-Sham Density Functional Theory: Understanding Chemical Properties</a>\
 nby Justyna Dominikowska (University of Lodz) as part of QHS Lecture Serie
 s on Superconducting Phenomena and Electronics\n\n\nAbstract\nDensity func
 tional theory (DFT) is considered to be one of the most\nwidespread quantu
 m chemistry methods\, due to its universality. It covers\nchemical structu
 ral properties and reactivity in various fields such as\ninorganic\, organ
 ic and organometallic chemistry. DFT methods may be\napplied to gas\, cond
 ensed phases and the solid state as well as to the\nsurface phenomena. The
  aim of the talk is to present major points of\ntheoretical background of 
 the Kohn-Sham DFT formulation\, the interaction\nenergy decomposition sche
 me based on this model\, and also its practical\nuse.\n
LOCATION:https://researchseminars.org/talk/QTech/19/
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