2020 Basic Concepts of Physical Chemistry

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Academic unit or major
Graduate major in Chemistry
Ohshima Yasuhiro  Yamazaki Masakazu  Koshihara Shinya  Kitajima Masashi  Okimoto Yoichi  Nishino Tomoaki 
Course component(s)
Mode of instruction
Day/Period(Room No.)
Mon5-6(H114)  Thr5-6(H114)  
Course number
Academic year
Offered quarter
Syllabus updated
Lecture notes updated
Language used
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Course description and aims

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.

Student learning outcomes

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

Competencies that will be developed

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

Class flow

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

  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.

Out-of-Class Study Time (Preparation and Review)

To enhance effective learning, students are encouraged to spend approximately 100 minutes preparing for class and another 100 minutes reviewing class content afterwards (including assignments) for each class.
They should do so by referring to textbooks and other course material.


Course materials are provided during class if necessary.

Reference books, course materials, etc.

None required.

Assessment criteria and methods

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%

Related courses

  • CHM.C532 : Advanced Quantum Chemistry
  • CHM.C531 : Advanced Physical Chemistry

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

Introductory quantum chemistry

Contact information (e-mail and phone)    Notice : Please replace from "[at]" to "@"(half-width character).

Yasuhiro Ohshima: ohshima[at]chem.titech.ac.jp
Shinya Kosihara: koshihara.s.aa[at]m.titech.ac.jp

Office hours

Contact by email in advance to schedule an appointment.
Yasuhiro Ohshima (West Building 4, Room 105B)
Shinya Kosihara (Main Building, Room 118)

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