【摘要】 运用Ｍｏｎｔｅ－Ｃａｒｌｏ轨迹法研究了Ｋｒ（１Ｓｇ）＋ＨＦ（Ｘ１∑＋；ｖ＝１，２，３；Ｊ＝４）→Ｋｒ（１Ｓｇ）＋ＨＦ（ＸＩ∑＋，Ｖ’，Ｊ’）的碰撞过程，从而分析Ｋｒ原子对ＨＦ基频和泛频的影响。研究表明：在初始相对平动能Ｅｔ≤２５１.０ｋＪ／ｍｏｌ时，Ｋｒ原子能够减少产生基频的粒子数反转，增加产生泛频特别是Ｖ＝２能级的粒子数反转，并且，Ｋｒ原子有较强的弛豫高转动态（Ｊ’≥４）的能力，因此，Ｋｒ原子对ＨＦ泛频激光在提高光强和增强大气传输能力方面均有较大的改善。更多还原

【Abstract】 The collision reaction that Kr(~1S_g)+HF(X~1∑~+; v= 1, 2, 3, J=4) - Kr(Sg)+HF(X~1∑~+, v’, J’) has been studied using Monte--Carlo trajectory method,and it has been found that Kr atoms have influence on the fundamental and overtone vibrational frequency for HF(X~1∑~+). The studying results show that, when the initial relative translational energy E_t≤251.0 kJ/mol, Kr atoms can reduce the particle number reversion of the fundamental vibrational frequency, and increase it of the overtone vibrational frequency, particularly in the energy level v’ =2, and Kr atoms are more strong on relaxing the higher rotational states(J’≥4). Thus, for hydrogen fluoride (HF) overtone frequency laser Kr atoms can obviously increase the strength of light and im- prove the transmission property in the air.更多还原