Students are given an overview of quantum chemistry for the fundamentals of physical chemistry, and provided with the quantum-chemical basics for an idea on materials, from atoms and molecules to molecular aggregates.
Students will understand the principle of the indistinguishability of identical particles, which forms the foundation of physicochemical properties of materials, as well as Pauli's principle, which is derived from it. Students learn about the electronic state (energy band structure), optical and thermodynamic properties of molecular solids. Furthermore, based on statistical mechanics of molecular aggregates, students study the electronic state and electronic properties of molecular aggregates, and learn the concepts of metals, semiconductors, etc.
By the end of this course students will understand
1) the indistinguishability of identical particles and the Pauli principle
2) the hierarchy of energy in molecules and the corresponding spectroscopy
3) the electronic and optical properties of condensed matters and the behavior of metals and semiconductors based on the concept of energy band structure.
Indistinguishability of identical particles, the Pauli principle,
Molecular structure, Molecular spectroscopy, Molecular partition function, Energy band structure, Optical peroperty of mol;ecular solids, Density of states, Fermi energy
Intercultural skills | Communication skills | Specialist skills | Critical thinking skills | Practical and/or problem-solving skills |
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The lecture about the Pauli principle is given on every Monday, and that about the solid state physics is given on every Thursday.
Course schedule | Required learning | |
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Class 1 | General explanation about this course, basic concepts about the electronic state in solid | What is the characteristics of the electronic state in molecular soilid ? |
Class 2 | The Pauli principle, revisited (the two-body system) | Derive the property of the permutation symmetry of two identical particles from the indistinguishability of identical particles. |
Class 3 | Chracteristics of the electronic state in molecular solids, Band model of the electronic state in crystal | What is the difference in optical properties of Insulatoir and Metal? |
Class 4 | mathematical background:the permutation of n-letter | Explain the permutation of n-letter |
Class 5 | Microscopic physical model of excited states in solid 1: What is 'Exciton' ? | Can we design insulator-semiconductor with rather wide optical gap based on the band model ? |
Class 6 | The Pauli principle, revisited (the n-body system) | Derive the property of the permutation symmetry of n identical particles from the indistinguishability of identical particles. |
Class 7 | Microscopic physical model of excited states in solid ２: What is 'Carriers' ? | What kind of modificatrion of simple concept of energy band is necessary for understanding the optical properties of solids |
Class 8 | Bosons and fermions | Understand that the quantal particles are divided into two groups, the bosons and fermions. |
Class 9 | The system comprising n identical bosons | Understand the behavior of the system comprising n identical bosons. |
Class 10 | Waht is lattice vibration in solid crystals I: what is phonon | Understand the basic concept of the phonon based on the dynamics of the solid crystal. |
Class 11 | The system comprising n identical fermions | Understand the behavior of the system comprising n identical fermions. |
Class 12 | Lattice vibration in solid crystals that affects electrical and thermal effects of the materials for energy conversion II: what is characteristics of phonon? | Understand the properties of the phonon based on the dynamics of the solid crystal. |
Class 13 | The Pauli principle and Pauli exclusion principle | Prove the Pauli principle and Pauli exclusion principle. |
Class 14 | Relationship between the phonon and the electric/thermal behaviors of molecular solids | Understand roles of the phonon in the specific heat and thermal conduction in a solid crystal. |
Course materials are provided during class if necessary.
None required.
Students’ course scores are based on understanding of basic concepts of atoms and molecules, condensed matter, and surfaces.
Activities in class 10%, Final examination 90%
Introductory quantum chemistry
Shinya Koshihara skoshi[at]cms.titech.ac.jp
Noriyuki Kouchi nkouchi[at]chem.titech.ac.jp
Contact by email in advance to schedule an appointment.
Shinya Koshihara (Main Building H132A)
Noriyuki Kouchi (West Building 4, Room 508)