Molecular Electronic Structure Theory Methods- Lecturers
- Dr. Pedro Brana Coto, Dr. Baris Malcioglu
- Details
- Vorlesung
2 cred.h, ECTS studies, ECTS credits: 5
nur Fachstudium, Sprache Englisch
Time and place: Thu 10:00 - 12:00, SR 02.729
- Fields of study
- WF Ph-BA ab 5
WF Ph-MA ab 1
WF PhM-BA ab 5
WF PhM-MA ab 1
- Contents
- The molecular Hamiltonian and the Born-Oppenheimer approximation:
Separation of the nuclear and electronic Schrödinger equations.
Approximate solutions of the time independent electronic Schrödinger equation:
1. Ab initio methods.
• Mean-field approaches: The Hartree-Fock method.
• Post Hartree-Fock methods: Single configurational and multiconfigurational.
2. Density functional theory methods.
3. Semiempirical methods.
- ECTS information:
- Credits: 5
- Additional information
- Expected participants: 15, Maximale Teilnehmerzahl: 20
- Assigned lectures
- UE: Übungen zu Molecular Electronic Structure Theory Methods
-
Lecturers: Dr. Pedro Brana Coto, Dr. Baris Malcioglu
Time and place: n.V.
- Verwendung in folgenden UnivIS-Modulen
- Startsemester SS 2015:
- Physikalisches Wahlfach: Molecular Electronic Structure Theory Methods (PW)
- Department: Professur für Theoretische Physik mit dem Schwerpunkt Elektronentransport in Molekülen (Prof. Dr. Thoss)
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