Interference effects in differential cross sections for two-electron transfer

IF 1.7 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Mathematical Chemistry Pub Date : 2024-12-09 DOI:10.1007/s10910-024-01699-1

Dževad Belkić

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Abstract

Differential cross sections for simultaneous capture of both electrons by alpha particles from helium targets are computed. Employed are several quantum-mechanical distorted wave four-body methods of first- and second-orders. The main focus is on the cross section sensitivity as a function of different perturbation interactions and scattering states. Two aspects are considered. One is for theories with the same perturbation interactions and different scattering states. The other is for theories with the same scattering states and different perturbation interactions. In this context, the interference effect on two levels is examined. One compares the yields from the internuclear potential and the interactions between nuclei and two electrons. The other contrasts the contributions from the channel states with and without the distorted waves generated by the relative motions of nuclei. Depending on the employed theory, differential cross sections can be strongly or mildly influenced by the variability in all the mentioned frameworks. The salient illustrations are reported at intermediate energies 180-900 keV for which the experimental data are available. It is found that the second-order theories are in much better agreement with the measured cross sections than the first-order theories.

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双电子转移差分截面的干扰效应

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来源期刊

Journal of Mathematical Chemistry 化学-化学综合

CiteScore

3.70

自引率

17.60%

发文量

105

审稿时长

6 months

期刊介绍： The Journal of Mathematical Chemistry (JOMC) publishes original, chemically important mathematical results which use non-routine mathematical methodologies often unfamiliar to the usual audience of mainstream experimental and theoretical chemistry journals. Furthermore JOMC publishes papers on novel applications of more familiar mathematical techniques and analyses of chemical problems which indicate the need for new mathematical approaches. Mathematical chemistry is a truly interdisciplinary subject, a field of rapidly growing importance. As chemistry becomes more and more amenable to mathematically rigorous study, it is likely that chemistry will also become an alert and demanding consumer of new mathematical results. The level of complexity of chemical problems is often very high, and modeling molecular behaviour and chemical reactions does require new mathematical approaches. Chemistry is witnessing an important shift in emphasis: simplistic models are no longer satisfactory, and more detailed mathematical understanding of complex chemical properties and phenomena are required. From theoretical chemistry and quantum chemistry to applied fields such as molecular modeling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. JOMC has an important role in advancing chemistry to an era of detailed understanding of molecules and reactions.