Citation: Chunpeng Wang, Tianying Yan. Hartree方法求解基态氦原子的电子波函数[J]. University Chemistry, 2026, 41(8): 420-433. doi: 10.12461/PKU.DXHX202507063
Hartree方法求解基态氦原子的电子波函数
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关键词:
- Hartree Product
- / Hartree方程
- / 平均场近似
- / 3-21G基组
- / 自洽法
English
Hartree方法求解基态氦原子的电子波函数
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Key words:
- Hartree product
- / Hartree equation
- / Mean-field approximation
- / 3-21G basis set
- / Self-consistent method
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D.R. Hartree, The Calculation of Atomic Structures, Wiley: New York, NY, USA, 1957, pp. 17-18.D.R. Hartree, The Calculation of Atomic Structures, Wiley: New York, NY, USA, 1957, pp. 17-18.
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徐光宪, 黎乐民, 王德民. 量子化学: 基本原理和从头计算法(中册). 第2版. 北京: 科学出版社, 2009.
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M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, G.A. Petersson, H. Nakatsuji, et al., Gaussian 16, Revision B.01, Gaussian Inc.: Wallingford, CT, USA, 2016.M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, G.A. Petersson, H. Nakatsuji, et al., Gaussian 16, Revision B.01, Gaussian Inc.: Wallingford, CT, USA, 2016.
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