Syllabus for Quantum Mechanics and Chemical Bonding I

Kvantmekanik och kemisk bindning I

A revised version of the syllabus is available.

Syllabus

  • 5 credits
  • Course code: 1KB501
  • Education cycle: First cycle
  • Main field(s) of study and in-depth level: Chemistry G1F, Technology G1F

    Explanation of codes

    The code indicates the education cycle and in-depth level of the course in relation to other courses within the same main field of study according to the requirements for general degrees:

    First cycle
    G1N: has only upper-secondary level entry requirements
    G1F: has less than 60 credits in first-cycle course/s as entry requirements
    G1E: contains specially designed degree project for Higher Education Diploma
    G2F: has at least 60 credits in first-cycle course/s as entry requirements
    G2E: has at least 60 credits in first-cycle course/s as entry requirements, contains degree project for Bachelor of Arts/Bachelor of Science
    GXX: in-depth level of the course cannot be classified.

    Second cycle
    A1N: has only first-cycle course/s as entry requirements
    A1F: has second-cycle course/s as entry requirements
    A1E: contains degree project for Master of Arts/Master of Science (60 credits)
    A2E: contains degree project for Master of Arts/Master of Science (120 credits)
    AXX: in-depth level of the course cannot be classified.

  • Grading system: Fail (U), Pass (3), Pass with credit (4), Pass with distinction (5)
  • Established: 2008-05-13
  • Established by: The Faculty Board of Science and Technology
  • Revised: 2012-04-27
  • Revised by: The Faculty Board of Science and Technology
  • Applies from: week 34, 2012
  • Entry requirements: Participation in Linear Algebra, Single and Multivariable Analysis, Basic Mechanics.
  • Responsible department: Department of Chemistry - Ångström Laboratory

Learning outcomes

After completing the course, the student should be able to:

  • account for the basic principles and concepts of quantum mechanics
  • solve the Schrödinger equation for model systems of significance to molecular physics and chemistry
  • describe the chemical bonding quantum mechanically with molecular orbital theory
  • give examples of applications of quantum mechanics within technique and society

Content

Quantum mechanics relevance within chemistry. The formalism of quantum mechanics. Wave particle dualism. The Schrödinger equation, wave functions and the probability interpretation. Heisenberg's uncertainty relation. Particle in a box. Molecular vibrations and the harmonic oscillator. Angular momentum and spin. The hydrogen atom. Atomic orbitals. The periodic system. Perturbation theory and the variational method. Atomic properties. The Hartree-Fock method. Spinn-orbitcoupling. Therm symbols. Hund's rules. The Born-Oppenheimer approximation. Molecular orbitals. Diatomic molecules. The application of quantum mechanics in industry and society.

Instruction

Lectures, lessons and laboratory sessions.

Assessment

Written examination is organised at the end of the course and/or during the course and correspond 4 credits The laboratory sessions correspond to 1 credit.

Reading list

Reading list

Applies from: week 34, 2012