Jul 2, 2020   11:34 a.m. Berta
Academic information system

Course syllabus 445K0_4D - Quantum Theory of Molecules (FCFT - 2018/2019 - post-graduate studies)


     Information sheet          ECTS          Syllabus          


     Slovak          English          


University:
Slovak University of Technology in Bratislava
Faculty:
Course unit code:
445K0_4D
Course unit title:
Quantum Theory of Molecules
Mode of completion and Number of ECTS credits:
Exam-PhD (6 credits)
Course contents:
1.
Methods (allowance 10/0)
 
a.Ab initio and semiempirical methods
b.
Correlation energy and CI
c.
DFT methods
d.
Adiabatic potential surface and molecular structure

2.Applications (allowance 14/0)
 
a.
AO bases
b.
Spectra interpretation
c.
Population analysis
d.
Software use


Last modification made by Ing. Tomáš Molnár on 08/27/2018.

Type of output: