V. K. Dolmatov, L. V. Chernysheva, V. G. Yarzhemsky
{"title":"内面阴离子的原子和离子的光离子化","authors":"V. K. Dolmatov, L. V. Chernysheva, V. G. Yarzhemsky","doi":"arxiv-2409.11670","DOIUrl":null,"url":null,"abstract":"We study the interconnection between the results of two qualitatively\ndifferent approximate calculations of photoionization cross sections,\n$\\sigma_{n\\ell}$, for neutral atoms ($A$) or their cations ($A^+$), centrally\nconfined inside a fullerene-anion shell, $C_{N}^{q}$ , where $q$ represents the\nnegative excess charge on the shell. One of the approximations, frequently\nemployed in previous studies, assumes a uniform excess negative charge\ndistribution over the entire fullerene shell, by analogy with a charged\nmetallic sphere. The other approximation, not previously discussed in the\nliterature, considers the quantum states of the excess electrons on the shell,\ndetermined by specific $n$ and $\\ell$ values of their quantum numbers.\nRemarkably, both methods yield photoionization cross sections for the\nencapsulated species that are close to each other. Consequently, we find that\nthe photoionization of the encapsulated atoms or cations inside a $C_{N}^{q}$\nanion is minimally influenced by the quantum states of the excess electrons on\nthe fullerene shell. Furthermore, we demonstrate that the aforementioned\ninfluence decreases even further with an increasing size of the confining\nfullerene shell. All this holds true at least under the assumption that the\nconfined atom or cation is compact, i.e., its electron density remains\nprimarily within itself rather than being drawn into the fullerene shell. This\nremarkable finding results from Hartree-Fock calculations combined with a\npopular modeling of the fullerene shell, where it is modeled by an attractive\nspherical annular potential.","PeriodicalId":501039,"journal":{"name":"arXiv - PHYS - Atomic Physics","volume":"20 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Photoionization of atoms and ions from endohedral anions\",\"authors\":\"V. K. Dolmatov, L. V. Chernysheva, V. G. Yarzhemsky\",\"doi\":\"arxiv-2409.11670\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We study the interconnection between the results of two qualitatively\\ndifferent approximate calculations of photoionization cross sections,\\n$\\\\sigma_{n\\\\ell}$, for neutral atoms ($A$) or their cations ($A^+$), centrally\\nconfined inside a fullerene-anion shell, $C_{N}^{q}$ , where $q$ represents the\\nnegative excess charge on the shell. One of the approximations, frequently\\nemployed in previous studies, assumes a uniform excess negative charge\\ndistribution over the entire fullerene shell, by analogy with a charged\\nmetallic sphere. The other approximation, not previously discussed in the\\nliterature, considers the quantum states of the excess electrons on the shell,\\ndetermined by specific $n$ and $\\\\ell$ values of their quantum numbers.\\nRemarkably, both methods yield photoionization cross sections for the\\nencapsulated species that are close to each other. Consequently, we find that\\nthe photoionization of the encapsulated atoms or cations inside a $C_{N}^{q}$\\nanion is minimally influenced by the quantum states of the excess electrons on\\nthe fullerene shell. Furthermore, we demonstrate that the aforementioned\\ninfluence decreases even further with an increasing size of the confining\\nfullerene shell. All this holds true at least under the assumption that the\\nconfined atom or cation is compact, i.e., its electron density remains\\nprimarily within itself rather than being drawn into the fullerene shell. This\\nremarkable finding results from Hartree-Fock calculations combined with a\\npopular modeling of the fullerene shell, where it is modeled by an attractive\\nspherical annular potential.\",\"PeriodicalId\":501039,\"journal\":{\"name\":\"arXiv - PHYS - Atomic Physics\",\"volume\":\"20 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-09-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"arXiv - PHYS - Atomic Physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/arxiv-2409.11670\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"arXiv - PHYS - Atomic Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/arxiv-2409.11670","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Photoionization of atoms and ions from endohedral anions
We study the interconnection between the results of two qualitatively
different approximate calculations of photoionization cross sections,
$\sigma_{n\ell}$, for neutral atoms ($A$) or their cations ($A^+$), centrally
confined inside a fullerene-anion shell, $C_{N}^{q}$ , where $q$ represents the
negative excess charge on the shell. One of the approximations, frequently
employed in previous studies, assumes a uniform excess negative charge
distribution over the entire fullerene shell, by analogy with a charged
metallic sphere. The other approximation, not previously discussed in the
literature, considers the quantum states of the excess electrons on the shell,
determined by specific $n$ and $\ell$ values of their quantum numbers.
Remarkably, both methods yield photoionization cross sections for the
encapsulated species that are close to each other. Consequently, we find that
the photoionization of the encapsulated atoms or cations inside a $C_{N}^{q}$
anion is minimally influenced by the quantum states of the excess electrons on
the fullerene shell. Furthermore, we demonstrate that the aforementioned
influence decreases even further with an increasing size of the confining
fullerene shell. All this holds true at least under the assumption that the
confined atom or cation is compact, i.e., its electron density remains
primarily within itself rather than being drawn into the fullerene shell. This
remarkable finding results from Hartree-Fock calculations combined with a
popular modeling of the fullerene shell, where it is modeled by an attractive
spherical annular potential.