Electronic structure and interatomic interactions in Si(C2H)4 are simulated using density functional theory and are compared with experimental photoelectron spectroscopy data. The densities of electronic states of Si and C atoms are built for the valence band of Si(C2H)4, the correlation diagram of energy levels in Si(C2H)4 and C2H2 is discussed. The main types of interatomic electronic interactions responsible for chemical bonding between the silicon atom and ethynyl groups are established.

中文翻译：

---

使用密度泛函理论和光电光谱数据模拟四乙基硅烷电子结构

使用密度泛函理论模拟 Si(C2H)4 中的电子结构和原子间相互作用，并与实验光电子能谱数据进行比较。为Si(C2H)4的价带建立了Si和C原子的电子态密度，讨论了Si(C2H)4和C2H2能级的相关图。确定了负责硅原子和乙炔基之间化学键合的主要原子间电子相互作用类型。