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From SCF approximation to higly sofisticated methods for calculating the correlation energy. Applications in chemistry and biochemistry.
Last update: G_F (18.03.2004)
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Credit is awarded if the following conditions are met: 1. Active participation in at least 70% of exercises. 2. Elaboration of all homework.
Credit is a NECESSARY CONDITION for participation in the exam. Last update: Procházka Marek, prof. RNDr., Ph.D. (14.05.2020)
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Zahradník R., Polák R. Základy kvantové chemie, SNTL Praha 1983
Čárský P., Urban M. Ab initio výpočty v chemii, SNTL Praha 1985
Fišer J. Úvod do kvantové chemie, Academia Praha1983
Fišer J. Úvod do molekulové symetrie (Aplikace teorie grup v chemii), SNTL Praha 1980
Hobza P., Zahradník R. Mezimolekulové komplexy, Academia Praha 1988
Dyall K.G. Introduction to Relativistic Quantum Chemistry, A Course for Graduate Students, Odense University, 1995
Szabo A., Ostlund N.S. Modern Quantum Chemistry, McGraw-Hill 1989
Daudel R., Leroy G., Peers D., Sana M. Quantum Chemistry, John Wiley & Sons1983.
Roos B. Lecture Notes in Quantum Chemistry, European Summer School in Quantum Chemistry, Springer-Verlag 1992
Parr R.G., Yang W. Density-Functional Theory of Atoms and Molecules, Oxford University Press 1989. Last update: Burda Tomáš, RNDr., Ph.D. (30.04.2005)
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The exam is written and oral. The requirements correspond to the syllabus of the subject to the extent that was presented at the lecture.
Credit is a NECESSARY CONDITION for participation in the exam. Last update: Procházka Marek, prof. RNDr., Ph.D. (14.05.2020)
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From SCF approximation to higly sofisticated methods for calculating the correlation energy. Applications in chemistry and biochemistry. Last update: G_F (18.03.2004)
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