| 分子长程作用导致的电子态转移半径典量子理论 |
| SEMI-CLASSICAL QUANTUM THEORY OF LONG-RANGE INTERACTIONS INDUCED ELECTRONIC STATE TRANSITION |
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| 摘要: 以半经典量子力学方法发展了一个广义的理论，用来描述分子间长程作用下碰撞导致的电子态跃迁过程。运用分子间特别是线性分子间的一级静电Hamiltonian推导碰撞导致的电子态跃迁矩阵元的表达式，分别考虑了共振和近共振两种能量转移的情形，获得了对应于电子和分子转动运动的选律。并将理论表达式用于碰撞导致的碘分子E带E+0g和D0u+离子对态的数值计算。 |
| 关键词: 分子间长程作用 碰撞导致的电子态跃迁 能量转移 |
| 基金项目: |
| Abstract: Based on semi-classical quantum mechanical theory, the collision-induced transition of electronic states under long-range interactions is studied. Using first order electrostatic interaction Hamiltonian especially of linear molecules, the matrix elements expression of collision-induced electronic transition is derived. The selection rule of the electronic and molecular rotation is derived respect to resonant and quasi-resonant energy transfer. Finally the formula is applied to the calculatiion of the E+0g and D+0u ion-pair state in the collision-induced E region of iodine. |
| Keywords: long-range interactions collision-induced electronic transition energy transfer |
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| 张昀,闵志元,李重德.分子长程作用导致的电子态转移半径典量子理论[J].无机化学学报,1999,15(3):324-330. |
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