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电子轨道角动量效应-NH2自由基(0,V2,0)能级的理论计算
引用本文:凤尔银,崔执凤,赵献章,陈东.电子轨道角动量效应-NH2自由基(0,V2,0)能级的理论计算[J].安徽师范大学学报(自然科学版),1999,22(1):20-25.
作者姓名:凤尔银  崔执凤  赵献章  陈东
作者单位:安徽师范大学物理系,安徽,芜湖,241000
摘    要:采用大振幅弯曲振动哈密顿,考虑到电子轨道解动量的Renner-Teller效应,理论上计算了NH2自由基A^ ̄2B1电子弯曲振动及其K型转动能级,计算结果在较大的能量范围内与实验数据符合较好。

关 键 词:Renner-Teller效应  大振幅弯曲振动  耦合微分方程

THE EFFECT OF ELECTRONIC ORBITAL ANGULAR MOMENTUM-THEORETICAL CALCULATION FOR THE (0,V2,0) LEVELS OF NH2 RADICAL
FENG Er-yin,CUI Zhi-feng,ZHAO Xian-zhang,CHEN Dong.THE EFFECT OF ELECTRONIC ORBITAL ANGULAR MOMENTUM-THEORETICAL CALCULATION FOR THE (0,V2,0) LEVELS OF NH2 RADICAL[J].Journal of Anhui Normal University(Natural Science Edition),1999,22(1):20-25.
Authors:FENG Er-yin  CUI Zhi-feng  ZHAO Xian-zhang  CHEN Dong
Abstract:Based on the large amplitude bending vibrational Hamitonian and the Renner Teller effect describing vibronic interaction, we have solved the vibronic coupling differential equation. The structures of the bending vibrational and K type rotational levels of the 2A 1, 2B 1 states of NH 2 radical were obtained. Our theoretical results are in good agreement with the experiment in broad energy range. This method is valid for another same type molecular.
Keywords:Renner  Teller effect  large amplitude bending vibration  coupling differential equation  
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