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本文以S、P、d轨道的杂化为例,从一个或几个原子轨道电子云整体图象的对称性出发,再结合考虑能量近似原则和归一化条件,根据分子的立体构型,就可得到构成σ—杂化轨道的原子轨道类型.杂化轨道理论的研究常采用量子化学方法（1—4）。目前，杂化轨道理论对研究多原子分子结构及其性质还是十分有用的。但要推导杂化轨道函数，首先要用群体方法⑥来确定构成杂化轨道的原子轨道，这种方法既要利用群论知识、同时也不直观。本文从一个或几个原子轨道电子云整体图象的对称性出发，讨论了构顾σ——杂化轨道的原子轨道，既σ轨道的杂化方案。对于常见的S-P--d杂化轨道，本文所得到的结论不仅与群论方法完全相同，同时方法直观，物理意义明确，容易掌握。
Taking the hybridization of S, P and d orbitals as an example, this paper starts with the symmetry of the whole image of one or several atomic orbitals and considers the energy approximation principle and normalization conditions. According to the molecular configuration, We can get the atomic orbital types that constitute the σ-hybrid orbitals. Quantum chemical methods (1-4) are often used to study the hybrid orbital theory. At present, the hybrid orbital theory is still very useful for the study of polyatomic molecular structure and its properties. But to derive the hybrid orbital function, we first use the population method ⑥ to determine the atomic orbital that constitutes the hybrid orbital. This method requires both knowledge of the group theory and is not intuitive at the same time. Starting from the symmetry of the whole image of one or several atomic orbitals, we discuss the hybrid scheme of σ-hybridized orbitals and σ-orbitals. For the common S-P-d hybrid orbital, the conclusion obtained in this paper is not only identical with the group theory, but also the method is intuitive, the physical meaning is clear and easy to grasp.