The aim of this course is to build the quantum-mechanical formalism required for the
theoretical interpretation of the atomic and molecular spectra.
• One-electron atoms : Fine structure and hyperfine structure: Spin-orbit interaction,
• Darwin term, Selection rules for electric dipole transitions, Hyperfine structure and
• isotope shifts
• Interaction of one-electron atoms with external electric and magnetic field: Stark
• effect, Zeeman effect, Strong fields: Paschen-Back effect
• The atomic and molecular Hamiltonian: The molecular Hamiltonian, Atomic Units,
• Born-Oppenheimer approximation
• Two electron atoms: The Schrodinger equation for two electron atoms, He in the
• independent particle model (IPM), Time independent perturbation correction to IPM,
• Effective nuclear charge, Hartree-Fock for He, Electron correlation, Spin wave
• function Pauli exlusion principle, Statistics of indistinguishable particles, Level
• scheme of two-electron atoms
• Many electron atoms: Central field approximation, Pauli exclusion principle and
• Slaterdeterminants, Labeling Atomic States, Configuration, term, level and state,
• Hund's Rules, The Hartree-Fock approximation, Corrections to the central field
• approximation (L-S and j-j coupling)
• Interaction of many electron atoms with electromagnetic radiation
• Molecular structure: General nature of molecular structure, Molecular spectra,
• Diatomic molecules - Symmetry properties, Molecular Term Symbols- The hydrogen
• molecular ion - Correlation Diagrams, The Molecular orbital idea, Bonding and
• antibonding molecular orbitals, Molecular orbital theory for homonuclear diatomics,
• Molecular hydrogen within LCAO approximation, Photoelectron spectrum :
• experimental proof for MOs, Heteronuclear molecules, Molecular Symmetry - Point
• Groups, Polyatomic molecules, Vibration-Rotation spectroscopy
Non-relativistic advanced quantum mechanics and perturbation theory (stationary and
time dependent) - electromagnetism.
FINAL competences: 1 To be able to model atoms and molecules with quantum mechanical methods.
2 Being able to interprete atomic and molecular spectra.
