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 |
The lecture about the solid-state physics is given on every Monday, and that about the molecular energy levels is given on every Thursday.
Course schedule | Required learning | |
---|---|---|
Class 1 | Solid-state physcis (1): general explanation about this course, fundamental of statistical physics | Explain molecular partition function. |
Class 2 | Molecular energy levels (1): basics of quantum mechanics and fundamentals of molecular spectroscopy | Explain the experimental findings that initiate the concept of "photon". Explain the quantum numbers and energy levels in hydrogen atom. |
Class 3 | Solid-state physcis (2): application of statistical physics to ideal gas | Explain molecular partition function of ideal gas. |
Class 4 | Molecular energy levels (2): interaction between molecules and light | Explain the dipole approximation in optical transitions. Explain Einstein's A and B constants. |
Class 5 | Solid-state physcis (3): lattice specific heat | Explain lattice specific heat. |
Class 6 | Molecular energy levels (3): rotational levels and microwave spectroscopy | Quantitatively describe the rotational energy level structure of linear molecules and show the relationship to molecular structure. |
Class 7 | Solid-state physcis (4): Electronic structure of solids | Characteristics of the electronic state in soilid |
Class 8 | Molecular energy levels (4): vibrational levels and IR spectroscopy | Quantitatively describe the energy level structure of harmonic oscillators and explain the selection rules for IR transitions. |
Class 9 | Solid-state physcis (5): Energy band model 1 | Band model for the electronic state in crystal |
Class 10 | Molecular energy levels (5): 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 11 | Solid-state physcis (6): Energy band model 2 | Discuss the optical properties of solid based on the band model |
Class 12 | Molecular energy levels (6): nonlinear spectroscopy and LASER | Explain the principle of LASER. |
Class 13 | Solid-state physcis (7): Microscopic physical model of excited states in solid | Discuss the characteristics pf photo carrier in solid |
Class 14 | Molecular energy levels (7): 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 20%, Final examination (Report) 80%
Introductory quantum chemistry
Yasuhiro Ohshima: ohshima[at]chem.titech.ac.jp
Shinya Kosihara: koshihara.s.aa[at]m.titech.ac.jp
Contact by email in advance to schedule an appointment.
Yasuhiro Ohshima (West Building 4, Room 105B)
Shinya Kosihara (Main Building, Room 118)