1. 毕业设计（论文）的内容和要求
4-
2. 实验内容和要求
4-IRX-XRDBET
3. 参考文献
[1] Segall M D, Lindan P J D, Probert M J, Pickard C J, Hasnip P J, Clark S J, Payne M C J. First-principles simulation: Ideas, illustrations and the CASTEP code [J]. Phys., Condens. Matter 2002, 14, 2717?743.
[2] Perdew J P, Chevary J A, Vosko S H, Jackson K A, Pederson M R, Singh D J, Fiolhais C. et al. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approxmiation for exchange and correlation [J]. Phys., Rev. B 1992, 46, 6671?687.
[3] Fischer T H, Almlof J. General methods for geometry and wave function optimization [J]. J. Phys., Chem. 1992, 96, 9768?774.
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4. 毕业设计（论文）计划
2022119-27 2022122 202212-20224 2022318 20224-5 20225 20225
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