{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T11:49:38Z","timestamp":1791978578907,"version":"4.4.0"},"reference-count":44,"publisher":"AIP Publishing","issue":"14","funder":[{"DOI":"10.13039\/501100018696","name":"R\u00e9gion Normandie","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100018696","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100018588","name":"Labex EMC3","doi-asserted-by":"publisher","award":["PTOLEMEE LABEX EMC3-2020-PL"],"award-info":[{"award-number":["PTOLEMEE LABEX EMC3-2020-PL"]}],"id":[{"id":"10.13039\/100018588","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000921","name":"European Cooperation in Science and Technology","doi-asserted-by":"publisher","award":["CA18212"],"award-info":[{"award-number":["CA18212"]}],"id":[{"id":"10.13039\/501100000921","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Institute for Energy, Propulsion and Environment"},{"DOI":"10.13039\/501100001665","name":"Agence Nationale de la Recherche","doi-asserted-by":"publisher","award":["MONA (ANR-18-CE30-0016)"],"award-info":[{"award-number":["MONA (ANR-18-CE30-0016)"]}],"id":[{"id":"10.13039\/501100001665","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001665","name":"Agence Nationale de la Recherche","doi-asserted-by":"publisher","award":["PEPR-SPLEEN-PLASMA-N-ACT 2024-PEPR-111402"],"award-info":[{"award-number":["PEPR-SPLEEN-PLASMA-N-ACT 2024-PEPR-111402"]}],"id":[{"id":"10.13039\/501100001665","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100006537","name":"Campus France","doi-asserted-by":"publisher","award":["PHC-Balaton-54512PG"],"award-info":[{"award-number":["PHC-Balaton-54512PG"]}],"id":[{"id":"10.13039\/501100006537","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Universite Le Havre Normandie","award":["PIA4"],"award-info":[{"award-number":["PIA4"]}],"id":[{"id":"https:\/\/ror.org\/05v509s40","id-type":"ROR","asserted-by":"crossref"}]},{"name":"COMUE Normandie Universit\u00e9","id":[{"id":"https:\/\/ror.org\/01k40cz91","id-type":"ROR","asserted-by":"crossref"}]},{"name":"Campus France Excellence Hongrie program","id":[{"id":"https:\/\/ror.org\/04wtce741","id-type":"ROR","asserted-by":"crossref"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2026,10,14]]},"abstract":"<jats:p>BH+ ions are expected to play an important role in boron-containing plasmas relevant to fusion environments such as ITER, where low-energy electrons drive a variety of inelastic and reactive scattering processes. In particular, dissociative recombination, vibrational excitation, and de-excitation strongly influence the ion balance and energy distribution in such plasmas. We present a theoretical study of electron collisions with BH+ using a combination of ab\u00a0initio electronic structure calculations and electron scattering methods. Potential energy curves for bound states of BH and BH+ are obtained using multireference configuration interaction, while autoionization widths of electronic resonant states are computed with the complex Kohn variational method. The collision dynamics is modeled within multichannel quantum defect theory, including both the \u201ccrossing\u201d\u2014i.e., Feshbach-resonances-mediated\u2014and the \u201cnon-crossing\u201d\u2014i.e., Rydberg-mediated\u2014mechanisms. Cross sections and thermal rate coefficients for the processes are provided for the lowest vibrational levels of BH+ and its isotopologues\u2014BD+ and BT+\u2014showing significant isotope effects, especially at low electron temperatures.<\/jats:p>","DOI":"10.1063\/5.0354874","type":"journal-article","created":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T11:01:28Z","timestamp":1791975688000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":0,"title":["Low-energy electron collisions with BH+"],"prefix":"10.1063","volume":"165","author":[{"ORCID":"https:\/\/orcid.org\/0009-0006-9385-8920","authenticated-orcid":false,"given":"R.","family":"Mezlini","sequence":"first","affiliation":[{"name":"LOMC, CNRS-Universit\u00e9 Le Havre Normandie 1 , 76600 Le Havre,","place":["France"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"F.","family":"Iffly","sequence":"additional","affiliation":[{"name":"LOMC, CNRS-Universit\u00e9 Le Havre Normandie 1 , 76600 Le Havre,","place":["France"]},{"name":"University of Rouen Normandie 2 , 76000 Rouen,","place":["France"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0102-857X","authenticated-orcid":false,"given":"D.","family":"Hvizdos","sequence":"additional","affiliation":[{"name":"LOMC, CNRS-Universit\u00e9 Le Havre Normandie 1 , 76600 Le Havre,","place":["France"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7223-5787","authenticated-orcid":false,"given":"J. Zs.","family":"Mezei","sequence":"additional","affiliation":[{"name":"HUN-REN Institute for Nuclear Research (ATOMKI) 3 , 4026 Debrecen,","place":["Hungary"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3882-9100","authenticated-orcid":false,"given":"A. E.","family":"Orel","sequence":"additional","affiliation":[{"name":"Department of Chemical Engineering, University of California 4 , Davis, California 95616,","place":["USA"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2182-7165","authenticated-orcid":false,"given":"\u00c5.","family":"Larson","sequence":"additional","affiliation":[{"name":"Department of Physics, Stockholm University, AlbaNova University Center 5 , 10691 Stockholm,","place":["Sweden"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4379-1768","authenticated-orcid":false,"given":"I. F.","family":"Schneider","sequence":"additional","affiliation":[{"name":"LOMC, CNRS-Universit\u00e9 Le Havre Normandie 1 , 76600 Le Havre,","place":["France"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2026,10,14]]},"reference":[{"key":"2026101407012447800_c1","doi-asserted-by":"publisher","first-page":"101854","DOI":"10.1016\/j.nme.2024.101854","article-title":"Plasma-wall interaction impact of the ITER re-baseline","volume":"42","year":"2025","journal-title":"Nucl. Mater. Energy"},{"key":"2026101407012447800_c2","unstructured":"ITER Organization, Blanket, 2024, https:\/\/www.iter.org\/machine\/blanket, website accessed on July 2026."},{"key":"2026101407012447800_c3","unstructured":"ITER Organization, A coat of boron to capture impurities, 2023, https:\/\/www.iter.org\/node\/20687\/coat-boron-capture-impurities, website accessed on 15 July 2026."},{"key":"2026101407012447800_c4","unstructured":"K.\n            Dulon\n          , Boronization system takes shape as ITER prepares for a tungsten wall, 2025, https:\/\/www.iter.org\/node\/20687\/boronization-system-takes-shape-iter-prepares-tungsten-wall, website accessed on July 2026."},{"key":"2026101407012447800_c5","doi-asserted-by":"publisher","first-page":"102003","DOI":"10.1016\/j.nme.2025.102003","article-title":"Erosion of thin boron films at the linear plasma device PSI-2 during deuterium discharges: Atomic and molecular spectroscopy of boron","volume":"45","year":"2025","journal-title":"Nucl. Mater. Energy"},{"key":"2026101407012447800_c6","doi-asserted-by":"publisher","first-page":"188","DOI":"10.1007\/BF01339529","article-title":"\u00dcber ein Bandenspektrum des Borhydrides","volume":"70","year":"1931","journal-title":"Z. Phys."},{"key":"2026101407012447800_c7","doi-asserted-by":"publisher","first-page":"435","DOI":"10.1016\/0022-2852(67)90190-7","article-title":"On the spectrum of BH in the near ultraviolet","volume":"22","year":"1967","journal-title":"J.\u00a0Mol. Spectrosc."},{"key":"2026101407012447800_c8","doi-asserted-by":"publisher","first-page":"084301","DOI":"10.1063\/1.2484107","article-title":"Dynamics of dissociative recombination versus electron ejection in single rovibronic resonances of BH","volume":"126","year":"2007","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026101407012447800_c9","doi-asserted-by":"publisher","first-page":"214311","DOI":"10.1063\/1.4723806","article-title":"The np Rydberg series of boron monohydride: L-uncoupling and its evolution for intermediate principal quantum numbers n = 4 to n = 11","volume":"136","year":"2012","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026101407012447800_c10","doi-asserted-by":"publisher","first-page":"332","DOI":"10.1063\/1.1742881","article-title":"Electronic states of molecules. I. Electronic structure of BH","volume":"25","year":"1956","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026101407012447800_c11","doi-asserted-by":"publisher","first-page":"363","DOI":"10.1016\/0009-2614(70)80184-1","article-title":"A new double minimum problem: The B1\u03a3+ state of BH","volume":"7","year":"1970","journal-title":"Chem. Phys. Lett."},{"key":"2026101407012447800_c12","doi-asserted-by":"publisher","first-page":"861","DOI":"10.1080\/00268979709482776","article-title":"A full configuration interaction study of the low-lying states of the BH molecule","volume":"91","year":"1997","journal-title":"Mol. Phys."},{"key":"2026101407012447800_c13","doi-asserted-by":"publisher","first-page":"103","DOI":"10.1080\/00268970500284907","article-title":"Multireference configuration interaction and quantum defect calculations on the Rydberg states of the BH molecule","volume":"104","year":"2006","journal-title":"Mol. Phys."},{"key":"2026101407012447800_c14","doi-asserted-by":"publisher","first-page":"333","DOI":"10.1080\/00268970601110308","article-title":"Theoretical study of nonadiabatic interactions, radiative lifetimes and predissociation lifetimes of excited states of BH","volume":"105","year":"2007","journal-title":"Mol. Phys."},{"key":"2026101407012447800_c15","doi-asserted-by":"publisher","first-page":"144308","DOI":"10.1063\/1.2902284","article-title":"Ab initio investigation of the electronic structure and bonding of BH, BH\u2212, and HBBH molecules","volume":"128","year":"2008","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026101407012447800_c16","doi-asserted-by":"publisher","first-page":"33","DOI":"10.1007\/s00601-025-02004-9","article-title":"Mutual neutralization in collisions of B+ and H\u2212","volume":"66","year":"2025","journal-title":"Few-Body Syst."},{"key":"2026101407012447800_c17","doi-asserted-by":"publisher","first-page":"025009","DOI":"10.1088\/1361-6587\/ada1fd","article-title":"Electron collision cross sections and electronic states of BH: An R-matrix study for fusion edge plasmas","volume":"67","year":"2025","journal-title":"Plasma Phys. Controlled Fusion"},{"key":"2026101407012447800_c18","volume-title":"MESA (Molecular Electronic Structure Applications), a Software Package Developed at Los Alamos National Lab","year":"1990"},{"key":"2026101407012447800_c19","doi-asserted-by":"publisher","first-page":"6796","DOI":"10.1063\/1.462569","article-title":"Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions","volume":"96","year":"1992","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026101407012447800_c20","doi-asserted-by":"publisher","first-page":"2457","DOI":"10.1063\/1.436018","article-title":"An accurate three-dimensional potential energy surface for H3","volume":"68","year":"1978","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026101407012447800_c21","first-page":"501","article-title":"The incorporation of modern electronic structure methods in electron-molecule collision problems: Variational calculations using the complex Kohn method","volume-title":"Modern Electronic Structure Theory","year":"1995"},{"key":"2026101407012447800_c22","first-page":"1","article-title":"The complex Kohn variational method","volume-title":"Computational Methods for Electron\u2013Molecule Collisions","year":"1995"},{"key":"2026101407012447800_c23","doi-asserted-by":"publisher","first-page":"920","DOI":"10.1103\/physreva.19.920","article-title":"Behavior of the eigenphase sum near a resonance","volume":"19","year":"1979","journal-title":"Phys. Rev. A"},{"key":"2026101407012447800_c24","doi-asserted-by":"publisher","first-page":"267","DOI":"10.1080\/01442350902989170","article-title":"Interacting Rydberg and valence states in radicals and molecules: Experimental and theoretical studies","volume":"28","year":"2009","journal-title":"Int. Rev. Phys. Chem."},{"key":"2026101407012447800_c25","doi-asserted-by":"publisher","first-page":"209","DOI":"10.1016\/S1049-250X(08)60063-4","article-title":"Associative ionization: Experiments, potentials, and dynamics","volume":"26","year":"1989","journal-title":"Adv. At., Mol., Opt. Phys."},{"key":"2026101407012447800_c26","doi-asserted-by":"publisher","first-page":"262","DOI":"10.1145\/29380.2986","article-title":"Minimizing multimodal functions of continuous variables with the \u2018simulated annealing\u2019 algorithm","volume":"13","year":"1987","journal-title":"ACM Trans. Math. Softw."},{"key":"2026101407012447800_c27","doi-asserted-by":"publisher","first-page":"3867","DOI":"10.1088\/0022-3700\/13\/19\/025","article-title":"A multichannel quantum defect approach to dissociative recombination","volume":"13","year":"1980","journal-title":"J.\u00a0Phys. B: At., Mol. Phys."},{"key":"2026101407012447800_c28","doi-asserted-by":"publisher","first-page":"L289","DOI":"10.1088\/0953-4075\/24\/12\/002","article-title":"The role of Rydberg states in H2+ dissociative recombination with slow electrons","volume":"24","year":"1991","journal-title":"J.\u00a0Phys. B: At., Mol. Opt. Phys."},{"key":"2026101407012447800_c29","doi-asserted-by":"publisher","first-page":"022702","DOI":"10.1103\/PhysRevA.87.022702","article-title":"Dissociative recombination of electrons with diatomic molecular cations above dissociation threshold: Application to H2+ and HD+","volume":"87","year":"2013","journal-title":"Phys. Rev. A"},{"key":"2026101407012447800_c30","doi-asserted-by":"publisher","first-page":"012706","DOI":"10.1103\/physreva.90.012706","article-title":"Rotational transitions induced by collisions of HD+ ions with low-energy electrons","volume":"90","year":"2014","journal-title":"Phys. Rev. A"},{"key":"2026101407012447800_c31","doi-asserted-by":"publisher","first-page":"2259","DOI":"10.1093\/mnras\/stad1065","article-title":"Population of ground and lowest excited states of sulfur via the dissociative recombination of SH+ in the diffuse interstellar medium","volume":"522","year":"2023","journal-title":"Mon. Not. R. Astron. Soc."},{"key":"2026101407012447800_c32","doi-asserted-by":"publisher","first-page":"18311","DOI":"10.1039\/d4cp01736f","article-title":"Reactive collisions between electrons and BeH+ above dissociation threshold","volume":"26","year":"2024","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026101407012447800_c33","doi-asserted-by":"publisher","first-page":"032820","DOI":"10.1103\/1kdt-w2hf","article-title":"Dissociative recombination of NeH+ with low-energy electrons: Multichannel quantum defect theory including nonadiabatic couplings","volume":"113","year":"2026","journal-title":"Phys. Rev. A"},{"key":"2026101407012447800_c34","doi-asserted-by":"publisher","first-page":"167","DOI":"10.1088\/0034-4885\/46\/2\/002","article-title":"Quantum defect theory","volume":"46","year":"1983","journal-title":"Rep. Prog. Phys."},{"key":"2026101407012447800_c35","doi-asserted-by":"publisher","first-page":"173201","DOI":"10.1103\/physrevlett.98.173201","article-title":"Indirect dissociative recombination of LiH+ molecules fueled by complex resonance manifolds","volume":"98","year":"2007","journal-title":"Phys. Rev. Lett."},{"key":"2026101407012447800_c36","doi-asserted-by":"publisher","first-page":"043401","DOI":"10.1103\/physrevlett.124.043401","article-title":"Dissociative recombination of cold HeH+ ions","volume":"124","year":"2020","journal-title":"Phys. Rev. Lett."},{"key":"2026101407012447800_c37","doi-asserted-by":"publisher","first-page":"042801","DOI":"10.1103\/physreva.107.042801","article-title":"Unified treatment of resonant and nonresonant mechanisms in dissociative recombination: Benchmark study of CH+","volume":"107","year":"2023","journal-title":"Phys. Rev. A"},{"key":"2026101407012447800_c38","doi-asserted-by":"publisher","first-page":"032807","DOI":"10.1103\/fvmr-4cs8","article-title":"Dissociative recombination without curve crossings: NeH+ and ArH+","volume":"113","year":"2026","journal-title":"Phys. Rev. A"},{"key":"2026101407012447800_c39","doi-asserted-by":"publisher","first-page":"173","DOI":"10.1103\/physreva.6.173","article-title":"Theory of electron-molecule collisions by frame transformations","volume":"6","year":"1972","journal-title":"Phys. Rev. A"},{"key":"2026101407012447800_c40","doi-asserted-by":"publisher","first-page":"3866","DOI":"10.1063\/1.464014","article-title":"A finite element implementation of exterior complex scaling for the accurate determination of resonance energies","volume":"98","year":"1993","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026101407012447800_c41","doi-asserted-by":"publisher","first-page":"R137","DOI":"10.1088\/0953-4075\/37\/17\/r01","article-title":"Solving the three-body Coulomb breakup problem using exterior complex scaling","volume":"37","year":"2004","journal-title":"J.\u00a0Phys. B: At., Mol. Opt. Phys."},{"key":"2026101407012447800_c42","doi-asserted-by":"publisher","first-page":"032706","DOI":"10.1103\/physreva.62.032706","article-title":"Numerical grid methods for quantum-mechanical scattering problems","volume":"62","year":"2000","journal-title":"Phys. Rev. A"},{"key":"2026101407012447800_c43","doi-asserted-by":"publisher","first-page":"022713","DOI":"10.1103\/physreva.87.022713","article-title":"Multichannel-quantum-defect-theory treatment of reactive collisions between electrons and BeH+","volume":"87","year":"2013","journal-title":"Phys. Rev. A"},{"key":"2026101407012447800_c44","doi-asserted-by":"publisher","first-page":"424","DOI":"10.1093\/mnras\/stac501","article-title":"Dissociative recombination and rotational transitions of D2+ in collisions with slow electrons","volume":"512","year":"2022","journal-title":"Mon. Not. R. Astron. Soc."}],"container-title":["The Journal of Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0354874\/21170461\/144309_1_5.0354874.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0354874\/21170461\/144309_1_5.0354874.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T11:01:32Z","timestamp":1791975692000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.aip.org\/jcp\/article\/165\/14\/144309\/3406510\/Low-energy-electron-collisions-with-BH"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,10,14]]},"references-count":44,"journal-issue":{"issue":"14","published-print":{"date-parts":[[2026,10,14]]}},"URL":"https:\/\/doi.org\/10.1063\/5.0354874","relation":{},"ISSN":["0021-9606","1089-7690"],"issn-type":[{"value":"0021-9606","type":"print"},{"value":"1089-7690","type":"electronic"}],"subject":[],"published-other":{"date-parts":[[2026,10,14]]},"published":{"date-parts":[[2026,10,14]]},"article-number":"144309"}}