首页> 外文OA文献 >ISOLATION OF THE REGIONS OF POTENTIAL SIGNIFICANCE IN FINE-STRUCTURE TRANSITIONS USING ADIABATIC AND FUNCTIONAL SENSITIVITY ANALYSES - A COMPARATIVE INVESTIGATION WITH APPLICATIONS TO NA(P-2(1/2))+HE-NA(P-2(3/2))+HE AND NA(P-2(1/2))+AR-NA(P-2(3/2))+AR
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ISOLATION OF THE REGIONS OF POTENTIAL SIGNIFICANCE IN FINE-STRUCTURE TRANSITIONS USING ADIABATIC AND FUNCTIONAL SENSITIVITY ANALYSES - A COMPARATIVE INVESTIGATION WITH APPLICATIONS TO NA(P-2(1/2))+HE-NA(P-2(3/2))+HE AND NA(P-2(1/2))+AR-NA(P-2(3/2))+AR

机译:绝热和功能灵敏度分析用于精细结构转变中潜在意义区域的分离-应用于NA(P-2(1/2))+ HE- NA(P-2(3/2)的比较研究)+ HE AND NA(P-2(1/2))+ AR- NA(P-2(3/2))+ AR

摘要

The first-order functional sensitivity densities deltalnsigma1/2-->3/2(E)/deltalnWLAMBDA(R) are employed to assess the role of structure in the potential-energy curves W0(2SIGMA) and W1(2PI) mediating the fine-structure transition Na(P-1/2(2)) + He-->Na(P-3/2(2)) + He and Na(P-1/2(2)) + Ar-->Na(P-3/2(2)) + Ar. The sensitivity density profiles deltalnsigma1/2-->3/2(E)/deltalnWLAMBDA(R) for the two systems reveal that regions of significance differ widely for the 2SIGMA and 2PI curves. The results suggest that prevalent mechanistic explanations from adiabatic analyses have limitations in terms of the ultimate significance of the identified kinematic coupling over well demarcated radial and angular coupling regions. The functional sensitivity analysis is shown to permit a full deconvolution of the collision cross section's dependence on the features in the individual 2SIGMA and 2PI curves as opposed to the adiabatic analysis where only the features in [W0(R)-W1(R)] are deemed critical to the collisional outcome.
机译:一阶功能灵敏度密度deltalnsigma1 / 2-> 3/2(E)/ deltalnW LAMBDA (R)用于评估结构在势能曲线W0(2SIGMA)和W1(2PI)中的作用介导精细结构的转变Na(P-1 / 2(2))+ He-> Na(P-3 / 2(2))+ He和Na(P-1 / 2(2))+ Ar- -> Na(P-3 / 2(2))+ Ar。两个系统的灵敏度密度分布deltalnsigma1 / 2-> 3/2(E)/ deltalnW LAMBDA (R)表明,对于2SIGMA和2PI曲线,重要区域差异很大。结果表明,绝热分析中普遍存在的机理解释在已确定的运动耦合在径向和角度耦合区域上的最终识别意义上具有局限性。与仅在[W0(R)-W1(R)]中的特征是绝热分析相反,绝热分析表明,功能灵敏度分析可以完全消除卷积截面对依赖于2SIGMA和2PI曲线特征的依赖。被认为对碰撞结果至关重要。

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