2016 Quantum Mechanics(Materials Engineering Course)

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Academic unit or major
Inorganic Materials
Matsushita Sachiko  Azuma Masaki 
Course component(s)
Day/Period(Room No.)
Mon1-2(H111)  Thr3-4(H111)  
Course number
Academic year
Offered quarter
Syllabus updated
Lecture notes updated
Language used
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Course description and aims

I This lecture gives the knowledge of molecular structure and the energy state from the viewpoint of quantum physics.
II hydrogen molecule, diatomic molecules (1), diatomic molecules (2), polyatomic molecule, band structure, symmetry element, point group, group, representative, character, basis, character table etc.

Student learning outcomes

Semiconductor. Capacitor. Superconductivity. solar battery. Thermoelectric. Plasmonics. To understand these functional materials, the knowldge of electron behavior in material is required. The goal of this lecture is the instinctively understanding of the electron behavior, and representing the relationship between the crystal structure and electron using group theory.


Shrodinger equation, molecular orbital, point group, character table

Competencies that will be developed

Specialist skills Intercultural skills Communication skills Critical thinking skills Practical and/or problem-solving skills

Class flow

Explain using slides, sometimes including handout or short test.

Course schedule/Required learning

  Course schedule Required learning
Class 1 Review of the basic quantum physics Review of the Shrodinger equation
Class 2 Atomic orbital Review of the atomic orbital.
Class 3 Molecular orbitals Study about the calculation of molecular orbitals.
Class 4 The H2+ Study about the orbitals of the simplest molecule, H2+.
Class 5 Diatomic molecules Study about the orbitals of diatomic molecules.
Class 6 Huckel approximations Study about the Huckel approximations on pi orbitals.
Class 7 Spin orbital Study about the electron spin
Class 8 Mid term exam. Conduct midterm exam.
Class 9 Symmetry element and symmetry operation Study about the symmetry operation and Bravais lattices.
Class 10 classification of molecules by symmetry Study about the point group and the stereographic projection.
Class 11 Properties determined by the symmetry Study about the Schoenflies notation and the physical properties determined by the symmetry.
Class 12 Introduction to group theory for molecular orbital I Study about the character table and the irreducible representation.
Class 13 Introduction to group theory for molecular orbital II Study about the Mulliken notation and the symmetry-adapted linear combination.
Class 14 Electric dipole transition Study about the condition for electric dipole transition (light absorption and emission).
Class 15 Summary of symmetry Review the symmetry of molecules.


Physical Chemistry (P. W. Atkins)

Reference books, course materials, etc.

Recommended text books are introduced during the lectures.

Assessment criteria and methods

Mid-term exam. (45%), End-of-term exam. (45%), Attendance rate (10%)

Related courses

  • MAT.C201 : Inorganic Quantum Chemistry
  • MAT.P201 : Quantum Chemistry A
  • MAT.P202 : Quantum Chemistry B

Prerequisites (i.e., required knowledge, skills, courses, etc.)

Knowledge of basic quantum physics is required.

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