E. Arthur-Baidoo, J. R. Danielson, C. M. Surko, J. P. Cassidy, S. K. Gregg, J. Hofierka, B. Cunningham, C. H. Patterson, D. G. Green
{"title":"芳香分子和其他环状分子中的正电子湮灭和结合","authors":"E. Arthur-Baidoo, J. R. Danielson, C. M. Surko, J. P. Cassidy, S. K. Gregg, J. Hofierka, B. Cunningham, C. H. Patterson, D. G. Green","doi":"arxiv-2312.02779","DOIUrl":null,"url":null,"abstract":"Annihilation spectra are presented for aromatic and heterocyclic ring\nmolecules resolved as a function of incident positron energy using a trap-based\npositron beam. Comparisons with the vibrational mode spectra yield\npositron-molecule binding energies. Good to excellent agreement is found\nbetween the measured binding energies and the predictions of an \\textit{ab\ninitio} many-body theory that takes proper account of electron-positron\ncorrelations including virtual-positronium formation. The calculations\nelucidate the competition between permanent dipole moments and $\\pi$ bonds in\ndetermining the spatial distribution of the bound-state positron density. The\nimplications of these results and the role of multimode features in\nannihilation in these molecules, including Fermi resonances, are discussed.","PeriodicalId":501259,"journal":{"name":"arXiv - PHYS - Atomic and Molecular Clusters","volume":"19 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Positron annihilation and binding in aromatic and other ring molecules\",\"authors\":\"E. Arthur-Baidoo, J. R. Danielson, C. M. Surko, J. P. Cassidy, S. K. Gregg, J. Hofierka, B. Cunningham, C. H. Patterson, D. G. Green\",\"doi\":\"arxiv-2312.02779\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Annihilation spectra are presented for aromatic and heterocyclic ring\\nmolecules resolved as a function of incident positron energy using a trap-based\\npositron beam. Comparisons with the vibrational mode spectra yield\\npositron-molecule binding energies. Good to excellent agreement is found\\nbetween the measured binding energies and the predictions of an \\\\textit{ab\\ninitio} many-body theory that takes proper account of electron-positron\\ncorrelations including virtual-positronium formation. The calculations\\nelucidate the competition between permanent dipole moments and $\\\\pi$ bonds in\\ndetermining the spatial distribution of the bound-state positron density. The\\nimplications of these results and the role of multimode features in\\nannihilation in these molecules, including Fermi resonances, are discussed.\",\"PeriodicalId\":501259,\"journal\":{\"name\":\"arXiv - PHYS - Atomic and Molecular Clusters\",\"volume\":\"19 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-12-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"arXiv - PHYS - Atomic and Molecular Clusters\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/arxiv-2312.02779\",\"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 and Molecular Clusters","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/arxiv-2312.02779","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Positron annihilation and binding in aromatic and other ring molecules
Annihilation spectra are presented for aromatic and heterocyclic ring
molecules resolved as a function of incident positron energy using a trap-based
positron beam. Comparisons with the vibrational mode spectra yield
positron-molecule binding energies. Good to excellent agreement is found
between the measured binding energies and the predictions of an \textit{ab
initio} many-body theory that takes proper account of electron-positron
correlations including virtual-positronium formation. The calculations
elucidate the competition between permanent dipole moments and $\pi$ bonds in
determining the spatial distribution of the bound-state positron density. The
implications of these results and the role of multimode features in
annihilation in these molecules, including Fermi resonances, are discussed.