◎系所教育目標: 本系課程除涵蓋一般物理學系應有之重要基礎課程外,並同時兼顧物理理論與應用,高年級課程編排,除表列光電、固態電子等物理專論外,將與校外產業資源結合,以實務技能之學習為目標,期能於在校期間即設計與科技產業接觸機會,拓展科技視野,為就業預作預備,或為升學奠定學術基礎。 |
◎核心能力 | 關聯性 |
(Space) | (Space) |
◎本學科學習目標: Fundamental principles and applications of quantum mechanics will be instructed in this course. |
◎教學進度: |
週次 | 主題 | 教學內容 | 教學方法 |
01 09/17 | Linear algebra | Linear algebra | 講授、討論、報告。 |
02 09/24 | Orthogonal functions, eigenfunctions, and operators | Orthogonal functions, eigenfunctions, and operators | 講授、討論、報告。 |
03 10/01 | The electronic problem | The electronic problem | 講授、討論、報告。 |
04 10/08 | Orbitals, Slater determinants, and basis functions | Orbitals, Slater determinants, and basis functions | 講授、討論、報告。 |
05 10/15 | Operators and matrix elements | Operators and matrix elements | 講授、討論、報告。 |
06 10/22 | Second quantization | Second quantization | 講授、討論、報告。 |
07 10/29 | Spin-adapted configurations | Spin-adapted configurations | 講授、討論、報告。 |
08 11/05 | Midterm exam | Midterm exam | 習作、實習、報告。 |
09 11/12 | The Hartree-Fock equations | The Hartree-Fock equations | 講授、討論、報告。 |
10 11/19 | Derivation of the Hartree-Fock equations | Derivation of the Hartree-Fock equations | 講授、討論、報告。 |
11 11/26 | Interpretation of solutions to Hartree-Fock equations | Interpretation of solutions to Hartree-Fock equations | 講授、討論、報告。 |
12 12/03 | Restricted closed-shell Hartree-Fock: The Roothaan equations | Restricted closed-shell Hartree-Fock: The Roothaan equations | 講授、討論、報告。 |
13 12/10 | Model calculations on H2 and HeH+ | Model calculations on H2 and HeH+ | 講授、討論、報告。 |
14 12/17 | Polyatomic basis sets | Polyatomic basis sets | 講授、討論、報告。 |
15 12/24 | Some illustrative closed-shell calculations | Some illustrative closed-shell calculations | 講授、討論、報告。 |
16 12/31 | Unrestricted open-shell Hartree-Fock: The Pople-Nesbet equations | Unrestricted open-shell Hartree-Fock: The Pople-Nesbet equations | 講授、討論、報告。 |
17 01/07 | Review | Review | 講授、討論。 |
18 01/14 | Final exam | Final exam | 習作、實習、報告。 |
◎課程要求: Quantum Physics and Applied Mathematics |
◎成績考核 課堂參與討論20% 期中考40% 期末考40% |
◎參考書目與學習資源 A. Szabo and N. S. Ostlund, "Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory," Dover Publications, 1996. |