Quantum Chemistry I (GSC)

Quantum Chemistry I

Modern chemistry is built upon the foundations of quantum mechanics. This course aims to provide a solid understanding of the fundamental concepts and standard topics of quantum mechanics, while also emphasizing its applications in chemistry. To achieve this, key topics such as the harmonic oscillator, angular momentum, spin, and hydrogen-like atoms will be presented in conjunction with the fundamental principles and concepts of spectroscopy. This knowledge serves as a foundation for understanding chemical bonding, electronic states of molecules, and the quantum theory of chemical reactivity, which are covered in "Quantum Chemistry II."

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授業計画

1. Quantum mechanics in chemistry 2. Are electrons similar to ordinary particles? 3. Probability amplitude and Schrödinger equation ・Expectation values of physical quantities, uncertainty relation 4. Particles in a box ・Frequency range of light absorbed by molecules 5. Harmonic oscillator ・Vibrational states of molecules, vibrational spectra 6. Rigid rotator and angular momentum ・Rotational states of molecules, rotational spectra 7. Electronic structure of a hydrogen atom 8. General principles of quantum mechanics ・Linear Hermitian operators, Dirac’s notations 9. Spin angular momentum 10. Systems of identical particles

授業の方法

Lecture using blackboard

成績評価方法

End-term exam scores

教科書

D. A. McQuarrie & J. D. Simon, "Physical Chemistry: A Molecular Approach" (University Science Books, 1997)

参考書

D. A. McQuarrie, “Quantum Chemistry, 2nd ed.” (University Science Books, 2007). P. Atkins, R. Friedman, “Molecular Quantum Mechanics, 5th ed.” (Oxford University Press, 2010). K. Yamanouchi, “Quantum Mechanics of Molecular Structure” (Springer, 2013). S. J. Jang, “Quantum Mechanics for Chemistry” (Springer, 2023).

履修上の注意

Exercise problems will be assigned to aid understanding. You are encouraged to solve as many of them as possible.