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arXiv 0706.3002physics.chem-ph
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Ar2准分子态0 u+(3 P1)和1 u(3 P2)的Potential energy曲线和跃迁矩

Potential energy curves and transition moments for the excimer states 0u+ (3P1) and 1u (3P2) of Ar2

Matti Selg

摘要:

对Ar 2分子的最低两个激基缔合物态,构造了几个光滑连接的Morse型分量的精确可解参考势.通过对实验数据的拟合,确定了势函数的参数,这些势函数在较宽的核分离范围内是可靠的。计算了大量束缚-自由和束缚-束缚跃迁的量子力学Franck-Condon因子,并与观测到的光谱特征进行了比较。拟合过程还涉及偶极跃迁矩,这已被调整到已知的振动能级的辐射寿命。由此产生的势能曲线准确地再现了第一和第二发射连续Ar 2 * 以及振荡频谱有关的内部转折点区域。对Herman等[P.R.赫尔曼,体育LaRocque和B. P. Stoicheff,J.Chem.Phys.89,4535(1988)]中所描述的方法。

英文摘要:

Exactly solvable rererence potentials of several smoothly joined Morse-type components were constructed for the lowest two excimer states of Ar2 molecule. The parameters of the potentials have been ascertained by fitting to the experimental data, and they are reliable in a wide range of nuclear separations. A large number of quantum mechanical Franck-Condon factors for bound-free and bound-bound transitions have been calculated and compared with the observed spectroscopic features. The fitting procedure also involved dipole transition moments, which have been adjusted to the known radiative lifetimes of the vibrational levels. The resulting potential energy curves accurately reproduce the first and the second emission continua of Ar2* as well as the oscillatory spectrum related to their inner turning point region. The numbering and the positions of the vibrational levels reported by Herman et al. [P. R. Herman, P. E. LaRocque, and B. P. Stoicheff, J. Chem. Phys. 89, 4535 (1988)] have been confirmed.

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