Theoretical Studies of Collision-induced Energy Transfer in Electronically Excited States
Theoretical Studies of Collision-induced Energy Transfer in Electronically Excited States
复制标题
电子激发态碰撞引起的能量转移的理论研究
DOI：
10.1002/bbpc.199000011
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发表时间：
1990
期刊：
影响因子：
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通讯作者：
H. Werner
中科院分区：
文献类型：
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作者：
M. Alexander;A. Berning;A. D. Esposti;A. Joerg;A. Kliesch;H. Werner
综述了电子激发态碰撞能量转移的理论研究进展。用精确的从头算电子波函数计算了OH（X2 <$，A2 <$+）+ He和Ar，Li 2（A1 <$u+）+ Ne，N2+（X2 <$g+，A2 <$u）+ He，CN（X2 <$g+，A2 <$u）+ He的势能面，并用于转动、振动和电子能量转移过程的截面和速率系数的量子散射计算。在可以与精确的实验数据进行比较的情况下，理论和实验数据在20%-30%范围内一致。
Some recent theoretical studies of collision-induced energy transfer in electronically excited states are reviewed. Using accurate ab initio electronic wavefunctions potential energy surfaces have been computed for OH(X2Π, A2Σ+) + He and Ar, Li2 (A1Σu+) + Ne, N2+ (X2Σg+, A2Πu) + He, and CN (X2Σ+, A2Π) + He and used in quantum scattering calculations of cross sections and rate coefficients for rotational, vibrational, and electronic energy transfer processes. In cases where comparison with accurate experimental data is possible, the theoretical and experimental data agree within 20–30 percent.
固体化学学报（1986）
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