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 learn about the electronic state, structure, dynamic properties of molecules and their interaction with light. 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 hierarchy of energy in molecules and the corresponding spectroscopy
2) the electronic states and electronic properties of condensed matter and the behavior of metals and semiconductorsconcept of energy band structure.
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 molecular energy levels 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, fundamental of statistical physics | Explain molecular partition function. |
Class 2 | Introduction of energy levels of molecules | Explain the hierarchy of energy in molecules and the corresponding wave lengths of light. |
Class 3 | Application of statistical physics to ideal gas | Explain molecular partition function of ideal gas. |
Class 4 | Rotational levels and microwave spectroscopy | Quantitatively describe the rotational energy level structure of linear molecules and show the relationship to molecular structure. |
Class 5 | Lattice specific heat | Explain lattice specific heat. |
Class 6 | Vibrational levels and IR/Raman spectroscopy | Quantitatively describe the energy level structure of harmonic oscillators and explain the selection rules for IR transitions. |
Class 7 | Electronic structure of solids | Explain density of states of metal. |
Class 8 | Electronic states and visible/UV spectroscopy | Describe the electronic states of molecules in terms of molecular orbitals and specify the symmetry of the electronic states by using group theory. |
Class 9 | Electronic specific heat | Explain temperature dependence of electronic specific heat. |
Class 10 | Nonlinear spectroscopy and LASER | Explain the principle of LASER. |
Class 11 | Electron transport | Explain electron transport |
Class 12 | Electron and Nuclear spins | Describe the quantum mechanics of spin angular momentum, and quantitatively show the interactions between multiple spins. |
Class 13 | Heat transport | Explain heat transport |
Class 14 | Magnetic resonances | Quantitatively show the interactions between the spin and the external magnetic field and explain the principles of NMR and ESR. |
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
Yasuhiro Ohshima ohshima[at]chem.titech.ac.jp
Manabu Kiguti kiguti[at]chem.titech.ac.jp
Contact by email in advance to schedule an appointment.
Yasuhiro Ohshima (West Building 4, Room 105B)
Manabu Kiguti (West Building 4, Room 102B)