Courses
Course title:
Quantum theory of molecules
Faculty:
Faculty of Science
Department:
Department of Physics
Course code:
Credits:
15
Semester:
Winter / Summer
Level of study:
Ph.D.
Format of study:
Lecture 39 [Hours/Semester]
Name of the lecturer:
Language:
English
ISCED F broad:
Natural sciences, mathematics and statistics
Annotation:
Basic methods of quantum chemistry, electron structure of atoms and molecules, intermolecular interactions.
Schrödinger equation.
Angular momentum.
Approximate methods.
Born-Oppenheimer approximation.
Many-particle systems, indistinguishable particles.
Hartree-Fock method.
Post-HF methods.
Density functional theory.
Electron structure of multi-electron atoms.
Electron structure of linear molecules.
Molecular symmetries.
Electron structure of nonlinear molecules.
Weak intermolecular interactions.
Quantum chemical software.
