论文标题
在四方原子体系中Jahn Teller和Renner Teller交叉口外观平面方面
On the Aspect of Plane of Appearance of Jahn Teller and Renner Teller Intersections in Tetra Atomic System A Case Study with HCNO-PLUS
论文作者
论文摘要
搜索与Jahn Teller（JT）圆锥形交集（CI）和Renner Teller（RT）抛物线交叉点（PI）相对应的具有良好定义的拓扑（Berry）阶段的配置空间，在弯曲引入时，线性四原子分子体系中的抛物线（PI）可能会揭示出这些潜在的相互作用以及这些潜在的相互作用以及这些潜在的相互作用，并且会出现在这些潜在的相互作用中。尽管了解这一方面对于遵循潜在交叉点引起的现象非常重要，但直到对包括（C2H2PLUS，HCNH）以及（N2H2PLUS，HBNHPLUS）对（包括（C2H2PLUS，hCNH））的分子系统的研究至今至今至今至今至今至今。本文体现了非绝热耦合项（NACTS）的计算，涉及四个略有弯曲的hcnoplus的低谎言状态，这是四个不同原子的动机选择，以研究与JTCI和RTPI相关的这一方面。这些作用的外观平面已被提倡与分子系统相关状态的电子结构有关。
Search for configuration space with welldefined topological (Berry) phases corresponding to Jahn Teller (JT) conical intersection (CI) and Renner Teller(RT) parabolic intersection (PI) in the linear tetra-atomic molecular system on introduction of bending, reveal the interesting aspect that these potential intersections may appear in molecular plane as well as out of the molecular plane. While understanding this aspect is important for following the class of phenomena led by potential intersections, till date studies on molecular systems including pairs like (C2H2plus , HCNH) as well as (N2H2plus , HBNHplus ), have not been able to clarify the issue. The present paper embodies calculation of non-adiabatic coupling terms (NACTs) involving four low lying states of slightly bent HCNOplus , a motivated choice of tetra-atomic with all four different atoms, to study this aspect associated with JTCI and RTPI in slightly bent linear system. The plane of appearance of these effects, has been advocated to be related to electronic configuration of the concerned states of the molecular system.
