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Quantum Theory of Molecules

Class at Faculty of Mathematics and Physics |
NBCM039

Syllabus

Born-Oppenheimer and adiabatic approximation. Hückel method.

Hartree, Hartree-Fock and Roothaan equations. Semiempirical and ab initio methods.

Correlation energy. Symmetry of molecules.

Intermolecular interactions. Polarizability.

Vibrations of molecules. Chemical reactivity.

Annotation

Born-Oppenheimer and adiabatic approximation. Hückel method.

Hartree, Hartree-Fock and Roothaan equations. Semiempirical and ab initio methods.

Correlation energy. Symmetry of molecules.

Intermolecular interactions. Polarizability.

Vibrations of molecules. Chemical reactivity.