课程大纲

COURSE SYLLABUS

课程代码/名称

Course Code/Title

CHE5007/

量子化学

课程性质

Compulsory/Elective

专业课

课程学分/学时

Course Credit/Hours

2.00/32

授课语言

Teaching Language

中文

授课教师

Instructor(s)

先修要求

Pre-requisites

无

教学目标

Course Objectives

- To understand the knowledge and concept of Quantum Chemistry.

- To make good use of the theory of Quantum Mechanics in chemistry problems;

- To guide the students to think about microcosmic phenomena ;

- To expand the tools to explain and research in chemistry.

教学方法

Teaching Methods

1.By means of explaining the development of the discipline to build up a methodology for study.

2.By giving examples from literatures and books, make the concept easier to be understood.

3.Tutorials are necessary to solve the problems immediately.

4.Group discussions will be organized to provide opportunities to propose ideas and raise new questions.

教学内容

Course Contents

Section 1

Schrodinger equation and the solution

Section 2

Operators

Section 3

Variation and perturbation theory

Section 4

Pauling and Hund regulation

Section 5

VB and MO theory

Section 6

HF and DFT

Section 7

Semi-empirical and molecular mechanics

Section 8

Section 9

Section 10

…………

10.

课程考核

Course Assessment

①考试；②20% hom ew ork & presence

.20% presentation and discussion.30% mid-term exam.30% final exam

。