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Course, academic year 2023/2024
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Numerical and algorithmical methods in quantum chemistry - MC260P62
Title: Numerické a algoritmické metody v kvantové chemii
Czech title: Numerické a algoritmické metody v kvantové chemii
Guaranteed by: Department of Physical and Macromolecular Chemistry (31-260)
Faculty: Faculty of Science
Actual: from 2016
Semester: winter
E-Credits: 3
Examination process: winter s.:
Hours per week, examination: winter s.:2/1, Ex [HT]
Capacity: unlimited
Min. number of students: 3
4EU+: no
Virtual mobility / capacity: no
State of the course: taught
Language: Czech
Note: enabled for web enrollment
Guarantor: doc. Dr. rer. nat. Jiří Pittner, DSc.
Teacher(s): doc. Dr. rer. nat. Jiří Pittner, DSc.
Annotation -
This lecture and exercises are intended for the students, who are more deeply interested in quantum chemical theory and would like gain knowledge about the implementation of quantum chemical methods. This course is confined to Hartree-Fock theory, but goes in enough depth to give the student all tools necessary for writing her own implementation of this method, which actually should be done in the exercises.
Last update: ZUSKOVA (10.02.2003)
Literature - Czech

T. Helgaker, P. Joergensen, J. Olsen: Molecular Electronic Structure Theory, Wiley, Chichester (2000).

Last update: ZUSKOVA (10.02.2003)
Requirements to the exam - Czech

Zkouška probíhá ústní formou s písemnou přípravou v rozsahu dle syllabu.

Last update: Pittner Jiří, doc. Dr. rer. nat., DSc. (16.12.2011)
 
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