Introduction to density functional theory 0800-INDEFUT

(po angielsku) Contact hours with teacher: - participation in lectures - 30 hrs Self-study hours: - preparation for lectures - 30 hrs - reading literature - 5 hrs - preparation for examination - 5 hrs In total 70 hrs (3 ECTS)

(po angielsku) W1: has advanced knowledge of the current state-of-the-art in quantum chemistry method with special focus on density functional theory methods W2: is acquainted with working principles of quantum chemistry W3: is familiar with current directions in density functional theory W4: understand the differences between density functional and wave function theory methods W1-W4 implement the following directional effects: K_W02 dla AS, K_W04 dla F, K_W01 dla FT

(po angielsku) U1: is capable to formulate and derive the basic equations in density functional theory U2: knows the concepts lying behind the construction of exchange-correlation functionals in the Kohn-Sham framework U3: knows how to choose the right exchange-correlation functional for a given chemical or physical problem U1-U3 implement the following directional effects: K_U01 dla F, K_U01 dla FT

(po angielsku) K1: understands the significance and importance of quantum mechanics (i.e. wave-function and density function theory methods) in daily life K2: is aware of about the possible application of density functional theory to real life problems, its limitation and accuracy K3: is capable of select proper exchange-correlation functional to given problem taking into accurate the computational scaling of method K4: can communicate and collaborate with theoreticians, as well as communicate to a general audience the relevance of density functional theory and quantum chemistry K1-K4 implement the following directional effects: K_K01 dla AS, K_K01 dla F, K_K01 dla FT

- wykład informacyjny (konwencjonalny)

przedmiot fakultatywny

(po angielsku) Basic knowledge of quantum mechanics

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