Many-body theory calculations of positron scattering and annihilation in H2, N2, and CH4

C. M. Rawlins; J. Hofierka; B. Cunningham; C. H. Patterson; D. G. Green

doi:10.1103/PhysRevLett.130.263001

Many-body theory calculations of positron scattering and annihilation in H₂, N₂, and CH₄

C. M. Rawlins
, J. Hofierka
, B. Cunningham
, C. H. Patterson
, D. G. Green^*

^*Corresponding author for this work

School of Mathematics and Physics

Research output: Contribution to journal › Article › peer-review

18 Citations (Scopus)

90 Downloads (Pure)

Abstract

The recently developed ab initio many-body theory of positron molecule binding [J. Hofierka et al., Many-body theory of positron binding to polyatomic molecules, Nature (London) 606, 688 (2022)] is combined with the shifted pseudostates method [A. R. Swann and G. F. Gribakin, Model-potential calculations of positron binding, scattering, and annihilation for atoms and small molecules using a Gaussian basis, Phys. Rev. A 101, 022702 (2020)] to calculate positron scattering and annihilation rates on small molecules, namely H₂, N₂, and CH₄. The important effects of positron-molecule correlations are delineated. The method provides uniformly good results for annihilation rates on all the targets, from the simplest (H₂, for which only a sole previous calculation agrees with experiment), to larger targets, where high-quality calculations have not been available.

Original language	English
Article number	263001
Number of pages	9
Journal	Physical Review Letters
Volume	130
Issue number	26
DOIs	https://doi.org/10.1103/PhysRevLett.130.263001
Publication status	Published - 30 Jun 2023

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10.1103/PhysRevLett.130.263001Licence: CC BY

Many-body theory calculations of positron scattering and annihilation in H2, N2, and CH4
Copyright 2023 The Authors. This is an open access article published under a Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
Final published version, 543 KBLicence: CC BY

R6997TCP: Many-body Theory of Antimatter Interactions with Atoms, Molecules and Condensed Matter
Green, D. (PI)
29/10/2018 → …
Project: Research

[INTERNATIONAL RESEARCH PRIZE FOR GROUP MEMBER] Prestigious Czech Physical Society "Milan Odehnal Prize for physics research for researchers under the age of 30" for former PhD student Dr Jaroslav Hofierka specifically for his thesis work conducted my group and co-authored with/directed by me.
Hofierka, J. (Recipient), 01 Oct 2024
Prize: Prize (including medals and awards)

Many-body theory of positron interactions with molecules
Hofierka, J. (Author), Green, D. (Supervisor) & Gruening, M. (Supervisor), Jul 2024
Student thesis: Doctoral Thesis › Doctor of Philosophy

File

Cite this

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abstract = "The recently developed ab initio many-body theory of positron molecule binding [J. Hofierka et al., Many-body theory of positron binding to polyatomic molecules, Nature (London) 606, 688 (2022)] is combined with the shifted pseudostates method [A. R. Swann and G. F. Gribakin, Model-potential calculations of positron binding, scattering, and annihilation for atoms and small molecules using a Gaussian basis, Phys. Rev. A 101, 022702 (2020)] to calculate positron scattering and annihilation rates on small molecules, namely H2, N2, and CH4. The important effects of positron-molecule correlations are delineated. The method provides uniformly good results for annihilation rates on all the targets, from the simplest (H2, for which only a sole previous calculation agrees with experiment), to larger targets, where high-quality calculations have not been available. ",

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AU - Rawlins, C. M.

AU - Hofierka, J.

AU - Cunningham, B.

AU - Patterson, C. H.

AU - Green, D. G.

PY - 2023/6/30

Y1 - 2023/6/30

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AB - The recently developed ab initio many-body theory of positron molecule binding [J. Hofierka et al., Many-body theory of positron binding to polyatomic molecules, Nature (London) 606, 688 (2022)] is combined with the shifted pseudostates method [A. R. Swann and G. F. Gribakin, Model-potential calculations of positron binding, scattering, and annihilation for atoms and small molecules using a Gaussian basis, Phys. Rev. A 101, 022702 (2020)] to calculate positron scattering and annihilation rates on small molecules, namely H2, N2, and CH4. The important effects of positron-molecule correlations are delineated. The method provides uniformly good results for annihilation rates on all the targets, from the simplest (H2, for which only a sole previous calculation agrees with experiment), to larger targets, where high-quality calculations have not been available.

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DO - 10.1103/PhysRevLett.130.263001

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IS - 26

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Many-body theory calculations of positron scattering and annihilation in H2, N2, and CH4

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Projects

R6997TCP: Many-body Theory of Antimatter Interactions with Atoms, Molecules and Condensed Matter

Prizes

[INTERNATIONAL RESEARCH PRIZE FOR GROUP MEMBER] Prestigious Czech Physical Society "Milan Odehnal Prize for physics research for researchers under the age of 30" for former PhD student Dr Jaroslav Hofierka specifically for his thesis work conducted my group and co-authored with/directed by me.

Student theses

Many-body theory of positron interactions with molecules

Cite this

Many-body theory calculations of positron scattering and annihilation in H₂, N₂, and CH₄