FUNDAMENTALS OF THEORETICAL CHEMISTRY

Historical background of quantum mechanics. Postulates of quantum theory. Operators, eigenfunctions, orthogonality, and normalization. Wavefunction. Schrödinger equation. Exactly soluble problems: particle in a box, harmonic oscillator, rigid rotator. Hydrogen and helium atoms. Spin and the Pauli Principle. Atomic and molecular orbitals. The Hartree-Fock method and beyond. Symmetry of molecules. Three written tests will be given during the semester, each of equal value. One comprehensive make-up test (which may be more difficult than the individual mid-semester tests) can be administered if necessary. The grade obtained in the make-up test is final and cannot be further made up

•  evaluation: 
• ECTS: 3
• Component Code: 
• lecturer: Zygmunt Flisak, PhD
• Faculty of Chemistry
• schedule: 
• place:
• available slots: