Diffusion quantum Monte Carlo calculation of the binding energy of positronium hydroxide
Using the diffusion quantum Monte Carlo method, the binding energy of positronium hydroxide (alternatively, the positronium affinity of the hydroxyl radical) has been calculated at a new level of accuracy and found to be 0.63{plus_minus}0.15 eV. Using the same methods, we also calculate the electron...
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Veröffentlicht in: | Physical Review A 1996-07, Vol.54 (1), p.964-966 |
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description | Using the diffusion quantum Monte Carlo method, the binding energy of positronium hydroxide (alternatively, the positronium affinity of the hydroxyl radical) has been calculated at a new level of accuracy and found to be 0.63{plus_minus}0.15 eV. Using the same methods, we also calculate the electron affinity of the hydroxyl radical to be 1.86{plus_minus}0.14 eV, which is in agreement with the experimental value. To the authors{close_quote} knowledge, this is the only calculation of these quantities for which this essential consistency is demonstrated. {copyright} {ital 1996 The American Physical Society.} |
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Using the same methods, we also calculate the electron affinity of the hydroxyl radical to be 1.86{plus_minus}0.14 eV, which is in agreement with the experimental value. To the authors{close_quote} knowledge, this is the only calculation of these quantities for which this essential consistency is demonstrated. {copyright} {ital 1996 The American Physical Society.}</description><identifier>ISSN: 1050-2947</identifier><identifier>EISSN: 1094-1622</identifier><identifier>DOI: 10.1103/PhysRevA.54.964</identifier><identifier>PMID: 9913558</identifier><language>eng</language><publisher>United States</publisher><subject>AFFINITY ; BINDING ENERGY ; CHEMISTRY ; DIFFUSION ; HYDROXYL RADICALS ; PHYSICS ; POSITRONIUM ; POSITRONIUM COMPOUNDS</subject><ispartof>Physical Review A, 1996-07, Vol.54 (1), p.964-966</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c320t-4b5ebdca32077b502cb67d6a6f69a0cf21d44aeb84979fa85586728a1cf093983</citedby><cites>FETCH-LOGICAL-c320t-4b5ebdca32077b502cb67d6a6f69a0cf21d44aeb84979fa85586728a1cf093983</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,777,781,882,2863,2864,27905,27906</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/9913558$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink><backlink>$$Uhttps://www.osti.gov/biblio/286099$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Yoshida, T</creatorcontrib><creatorcontrib>Miyako, G</creatorcontrib><creatorcontrib>Jiang, N</creatorcontrib><creatorcontrib>Schrader, DM</creatorcontrib><title>Diffusion quantum Monte Carlo calculation of the binding energy of positronium hydroxide</title><title>Physical Review A</title><addtitle>Phys Rev A</addtitle><description>Using the diffusion quantum Monte Carlo method, the binding energy of positronium hydroxide (alternatively, the positronium affinity of the hydroxyl radical) has been calculated at a new level of accuracy and found to be 0.63{plus_minus}0.15 eV. Using the same methods, we also calculate the electron affinity of the hydroxyl radical to be 1.86{plus_minus}0.14 eV, which is in agreement with the experimental value. To the authors{close_quote} knowledge, this is the only calculation of these quantities for which this essential consistency is demonstrated. {copyright} {ital 1996 The American Physical Society.}</description><subject>AFFINITY</subject><subject>BINDING ENERGY</subject><subject>CHEMISTRY</subject><subject>DIFFUSION</subject><subject>HYDROXYL RADICALS</subject><subject>PHYSICS</subject><subject>POSITRONIUM</subject><subject>POSITRONIUM COMPOUNDS</subject><issn>1050-2947</issn><issn>1094-1622</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1996</creationdate><recordtype>article</recordtype><recordid>eNo9kM1LwzAYxoMoc07PnoR689ItSdM2OY75CRNFFLyFNE22SJdsSSr2v7dl0_fyfv2el5cHgEsEpwjBbPa67sKb-p5PczJlBTkCYwQZSVGB8fFQ5zDFjJSn4CyEL9gHoWwERoyhLM_pGHzeGq3bYJxNdq2wsd0kz85GlSyEb1wiRSPbRsRh73QS1yqpjK2NXSXKKr_qhunWBRO9s6YXr7vaux9Tq3NwokUT1MUhT8DH_d374jFdvjw8LebLVGYYxpRUuapqKfqmLKscYlkVZV2IQhdMQKkxqgkRqqKElUwL2j9dlJgKJDVkGaPZBFzv77oQDQ_SRCXX0lmrZOSYFpCxnrnZM1vvdq0KkW9MkKpphFWuDRzRnGGEGB3Q2R6V3oXgleZbbzbCdxxBPjjO_xznOeG9473i6nC8rTaq_ucPFme_4Id-fw</recordid><startdate>19960701</startdate><enddate>19960701</enddate><creator>Yoshida, T</creator><creator>Miyako, G</creator><creator>Jiang, N</creator><creator>Schrader, DM</creator><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>OTOTI</scope></search><sort><creationdate>19960701</creationdate><title>Diffusion quantum Monte Carlo calculation of the binding energy of positronium hydroxide</title><author>Yoshida, T ; Miyako, G ; Jiang, N ; Schrader, DM</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c320t-4b5ebdca32077b502cb67d6a6f69a0cf21d44aeb84979fa85586728a1cf093983</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1996</creationdate><topic>AFFINITY</topic><topic>BINDING ENERGY</topic><topic>CHEMISTRY</topic><topic>DIFFUSION</topic><topic>HYDROXYL RADICALS</topic><topic>PHYSICS</topic><topic>POSITRONIUM</topic><topic>POSITRONIUM COMPOUNDS</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Yoshida, T</creatorcontrib><creatorcontrib>Miyako, G</creatorcontrib><creatorcontrib>Jiang, N</creatorcontrib><creatorcontrib>Schrader, DM</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>OSTI.GOV</collection><jtitle>Physical Review A</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Yoshida, T</au><au>Miyako, G</au><au>Jiang, N</au><au>Schrader, DM</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Diffusion quantum Monte Carlo calculation of the binding energy of positronium hydroxide</atitle><jtitle>Physical Review A</jtitle><addtitle>Phys Rev A</addtitle><date>1996-07-01</date><risdate>1996</risdate><volume>54</volume><issue>1</issue><spage>964</spage><epage>966</epage><pages>964-966</pages><issn>1050-2947</issn><eissn>1094-1622</eissn><abstract>Using the diffusion quantum Monte Carlo method, the binding energy of positronium hydroxide (alternatively, the positronium affinity of the hydroxyl radical) has been calculated at a new level of accuracy and found to be 0.63{plus_minus}0.15 eV. Using the same methods, we also calculate the electron affinity of the hydroxyl radical to be 1.86{plus_minus}0.14 eV, which is in agreement with the experimental value. To the authors{close_quote} knowledge, this is the only calculation of these quantities for which this essential consistency is demonstrated. {copyright} {ital 1996 The American Physical Society.}</abstract><cop>United States</cop><pmid>9913558</pmid><doi>10.1103/PhysRevA.54.964</doi><tpages>3</tpages></addata></record> |
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subjects | AFFINITY BINDING ENERGY CHEMISTRY DIFFUSION HYDROXYL RADICALS PHYSICS POSITRONIUM POSITRONIUM COMPOUNDS |
title | Diffusion quantum Monte Carlo calculation of the binding energy of positronium hydroxide |
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