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首页> 外文期刊>Chemical Physics Letters >Theoetical and experimental research on excimer like (N_2)_2 dimer:potential energy curves and spectra
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Theoetical and experimental research on excimer like (N_2)_2 dimer:potential energy curves and spectra

机译：（N_2）_2二聚体等准分子的理论和实验研究：势能曲线和光谱

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Theoretical ab initio calculations for a number of symmetry groups of (N_2)_2 dimer are performed with an emphasis on te intermolecular distance 1.2<=R<=R<=2.2.5 A.Except for the D_(2h) group,the ground and excited state potential energy curves of most of the symmetry groups ar repulsive in this region.The theoretical results indicated that there exists an excimer like electric dipole transition between the excited singlet states a~1B_(2g) and a~1B_(3u) of the D_(2h) symmetry group.The oscillator strength and theoretical spectra are calculatedExperimentally observed emission spectra for teh excimer-like (N_2)_2 dimer is found to be in good agreement with our theoretical calculations.
机译：对（N_2）_2二聚体的多个对称基团进行理论从头算，着重于分子间距离1.2 <= R <= R <= 2.2.5 A.除D_（2h）基团外，地面理论结果表明，在该区域的激发单重态a〜1B_（2g）和a〜1B_（3u）之间存在一个像电偶极跃迁一样的准分子。计算了振荡器的强度和理论光谱，发现准分子状（N_2）_2二聚体的实验观察到的发射光谱与我们的理论计算吻合良好。

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