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06362


Materialwiss. Master Sommersemester 2014
06362 Chemical Physics II (Chemical Bonding in Molecules) [WPV]
   
Dozent Scherer W., Eickerling G.
Dauer 3 SWS
Studiensemester 0
Schein Ja (6 LP)
Termin Di, 12:15-13:45 u. Fr, 8:15-9:00, 2004/T
Inhalt
  1. Charge density distribution from experiment and theory
  2. Analysis der topology of spin- and charge density distribution - Quantum theory of atoms in molecules (QTAIM) - Electron localization function (ELF) and electron localizability indicator (ELI)
  3. The nature of chemical bondings
  4. Analysis of wave functions with localized orbitals
  5. Modern quantum chemical methods: configuration interaction
Begleitend 06363