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Open shell systems: from atoms to transition metal oxides and defects in solids. Formal aspects and what simulation can do in 2017
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Open shell systems: from atoms to transition metal oxides and defects in solids. Formal aspects and what simulation can do in 2017
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Academic year 2016/2017
- Teacher
- Prof. Roberto Dovesi (Titolare del corso)
- Type
- Obbligatorio
- Credits/Recognition
- 3
- Course disciplinary sector (SSD)
- CHIM/02 - chimica fisica
- Delivery
- Tradizionale
- Language
- Italiano
- Attendance
- Obbligatoria
- Type of examination
- Orale
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Sommario del corso
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Program
Open shell systems.
The atomic states; The Russell_Saunders and the jj coupling.
The Hund Rules: just empirical ?
The spin-orbit coupling
When the quantum numbers are good quantum numbers?
Molecules with open shell structure: why?
Inner or outer shells? Transition metal compounds.
Magnetism, ferromagnetism, antiferromagnetism, and similar objects.
What is the superexchange coupling.
Lanthanides and magnetism.Suggested readings and bibliography
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Class schedule
Giorni Ore Aula Venerdì 16:00 - 18:00 Lunedì 16:00 - 18:00 Martedì 16:00 - 18:00 Giovedì 16:00 - 18:00 Venerdì 16:00 - 18:00 Lunedì 16:00 - 18:00 Lezioni: dal 03/02/2017 al 13/02/2017
Nota: Room to be defined
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