量子化學

Quantum Chemistry

學期

109-1

學分

3 學分

當期課號

5448

永久課號

IAC5595

開課單位

應用化學系分子科學碩博班

授課教師

朱超原

校區

光復

類別

選修

上課時間表

節	週一
5 13:20–14:10	量子化學 SB201 3 節連堂
6 14:20–15:10
7 15:30–16:20

* 根據陽明交大上課時間表所列

概述

The Schrodinger equation and its solutions for some simple systems.Introduction to quantum chemistry, molecular orbitals and bonding. Wavefunctions, one-electron and multielectron atoms, rotation and vibration of molecules. Molecular orbitals and bonding in diatomic and polyatomic molecules. Molecular symmetry, structure, and spectroscopy

先修科目

普通化學應用數學物理化學(二)

教學方式

PDF file for each lecture is emailed to every student day before class.

評分方式

作業部份: Homework after class 考試部份: 評量部份: Homework 10% Midterm I 30% Midterm II 30% Final 30%

課程大綱

1. The Schrodinger wave equation
2. Quantum operators and observables
3. Harmonic oscillator and vibrational spectroscopy
4. Rigid rotator and rotational spectroscopy
5. Hydrogen atom
6. Approximation methods
7. Many-electron atoms
8. Chemical bond
9. Hartree-Fock-Roothan method
10. Computational methods

教科書

教科書: Quantum Chemistry 2nd edition, McQuarrie, 2008 參考書目: Physical Chemistry, McQuarrie and Simon, 1997 Quantum Chemistry, Ira N. Levine, 5th ed., 1999 Molecular Quantum Mechanics, Atkins and Friedman, 3rd ed., 1997 Elementary Quantum Chemistry, Pilar, 1990 Symmetry and Spectroscopy, Harris and Bertolucci, 1978

Office Hours

地點: SB111
時間: 周一下午16:30-18:30
聯絡方式: cyzhu@mail.nctu.edu.tw