- "AB initio Molecular Orbital Theory" By J. W. Hebre, L. Radom, P.v.R. Schleyer and J. A. Pople, New York: Wiley, 1986. (Available at the XMU Lib.)
- "Molecular Modelling -- Principles and Applications" By Andrew R. Leach, Addison Wesley Longman Limited 1996.(Available at the XMU Lib.)
- "Quantum Chemistry" By I.N. Levine, Allyn and Bacon, 1975 (Available at the XMU Lib.)
- 《物质结构》(第二版), 徐光宪、王祥云,高等教育出版社(Available at the XMU Lib.)
- 《量子化学基本原理和从头计算法》(上、中), 徐光宪、黎乐民,科学出版社(Available at the XMU Lib.)
- 《固体能带理论》, 谢希德、陆栋主编,复旦大学出版社(Available at the XMU Lib.)
- 《群论在化学中的应用》,F.A. Cotton著, 刘春万等译,科学出版社(Available at the XMU Lib.)
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