Experimental and theoretical results of resonant and normal Auger decay in dichloromethane
The Auger electron spectra after the chlorine 2p excitation and ionization in the gas phase CH 2 Cl 2 and CD 2 Cl 2 molecules were investigated both theoretically and experimentally. A series of high-level ab initio quantum mechanical calculations have been performed at multiconfigurational self-con...
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| Veröffentlicht in: | The European physical journal. D, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2019-04, Vol.73 (4), p.1-6, Article 81 |
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| container_title | The European physical journal. D, Atomic, molecular, and optical physics |
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| creator | Santos, Antonio C. F. Vasconcelos, Debora N. MacDonald, Michael A. Sant’Anna, Marcelo M. Tenório, Bruno N. C. Rocha, Alexandre B. Morcelle, Viviane Appathurai, Narayan Zuin, Lucia |
| description | The Auger electron spectra after the chlorine 2p excitation and ionization in the gas phase CH
2
Cl
2
and CD
2
Cl
2
molecules were investigated both theoretically and experimentally. A series of high-level ab initio quantum mechanical calculations have been performed at multiconfigurational self-consistent field (MCSCF) and multireference configuration interaction (MRCI) levels of theory to compute the Cl L
2,3
VV Auger lines. Calculations were compared with the corresponding experimental photoexcited and photoionized spectra.
Graphical abstract |
| doi_str_mv | 10.1140/epjd/e2019-90625-y |
| format | Article |
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2
Cl
2
and CD
2
Cl
2
molecules were investigated both theoretically and experimentally. A series of high-level ab initio quantum mechanical calculations have been performed at multiconfigurational self-consistent field (MCSCF) and multireference configuration interaction (MRCI) levels of theory to compute the Cl L
2,3
VV Auger lines. Calculations were compared with the corresponding experimental photoexcited and photoionized spectra.
Graphical abstract</description><identifier>ISSN: 1434-6060</identifier><identifier>EISSN: 1434-6079</identifier><identifier>DOI: 10.1140/epjd/e2019-90625-y</identifier><language>eng</language><publisher>Berlin/Heidelberg: Springer Berlin Heidelberg</publisher><subject>Applications of Nonlinear Dynamics and Chaos Theory ; Atomic ; Augers ; Chlorine ; Clusters and Surfaces ; Configuration interaction ; Dichloromethane ; Ionization ; Mathematical analysis ; Molecular ; Molecules ; Optical and Plasma Physics ; Photoionization ; Physical Chemistry ; Physics ; Physics and Astronomy ; Quantum Information Technology ; Quantum mechanics ; Quantum Physics ; Regular Article ; Self consistent fields ; Spectroscopy/Spectrometry ; Spintronics ; Topical Issue: Many Particle Spectroscopy of Atoms ; Vapor phases</subject><ispartof>The European physical journal. D, Atomic, molecular, and optical physics, 2019-04, Vol.73 (4), p.1-6, Article 81</ispartof><rights>EDP Sciences / Società Italiana di Fisica / Springer-Verlag GmbH Germany, part of Springer Nature 2019</rights><rights>Copyright Springer Nature B.V. 2019</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c319t-17de0ded662f2989be582e494b556b97443036679024543b0d284d186fa4dc7d3</citedby><cites>FETCH-LOGICAL-c319t-17de0ded662f2989be582e494b556b97443036679024543b0d284d186fa4dc7d3</cites><orcidid>0000-0001-7402-6594</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1140/epjd/e2019-90625-y$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1140/epjd/e2019-90625-y$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,776,780,27901,27902,41464,42533,51294</link.rule.ids></links><search><creatorcontrib>Santos, Antonio C. F.</creatorcontrib><creatorcontrib>Vasconcelos, Debora N.</creatorcontrib><creatorcontrib>MacDonald, Michael A.</creatorcontrib><creatorcontrib>Sant’Anna, Marcelo M.</creatorcontrib><creatorcontrib>Tenório, Bruno N. C.</creatorcontrib><creatorcontrib>Rocha, Alexandre B.</creatorcontrib><creatorcontrib>Morcelle, Viviane</creatorcontrib><creatorcontrib>Appathurai, Narayan</creatorcontrib><creatorcontrib>Zuin, Lucia</creatorcontrib><title>Experimental and theoretical results of resonant and normal Auger decay in dichloromethane</title><title>The European physical journal. D, Atomic, molecular, and optical physics</title><addtitle>Eur. Phys. J. D</addtitle><description>The Auger electron spectra after the chlorine 2p excitation and ionization in the gas phase CH
2
Cl
2
and CD
2
Cl
2
molecules were investigated both theoretically and experimentally. A series of high-level ab initio quantum mechanical calculations have been performed at multiconfigurational self-consistent field (MCSCF) and multireference configuration interaction (MRCI) levels of theory to compute the Cl L
2,3
VV Auger lines. Calculations were compared with the corresponding experimental photoexcited and photoionized spectra.
Graphical abstract</description><subject>Applications of Nonlinear Dynamics and Chaos Theory</subject><subject>Atomic</subject><subject>Augers</subject><subject>Chlorine</subject><subject>Clusters and Surfaces</subject><subject>Configuration interaction</subject><subject>Dichloromethane</subject><subject>Ionization</subject><subject>Mathematical analysis</subject><subject>Molecular</subject><subject>Molecules</subject><subject>Optical and Plasma Physics</subject><subject>Photoionization</subject><subject>Physical Chemistry</subject><subject>Physics</subject><subject>Physics and Astronomy</subject><subject>Quantum Information Technology</subject><subject>Quantum mechanics</subject><subject>Quantum Physics</subject><subject>Regular Article</subject><subject>Self consistent fields</subject><subject>Spectroscopy/Spectrometry</subject><subject>Spintronics</subject><subject>Topical Issue: Many Particle Spectroscopy of Atoms</subject><subject>Vapor phases</subject><issn>1434-6060</issn><issn>1434-6079</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><recordid>eNp9UMtOwzAQtBBIlMIPcIrEOdSvOPGxqspDqsQFLlwsJ97QVKkdbEcif4_bIrhx2lntzKxmELol-J4Qjhcw7MwCKCYyl1jQIp_O0IxwxnOBS3n-iwW-RFch7DDGtOBiht7XXwP4bg826j7T1mRxC85D7Jq0ewhjH0Pm2gN0Vtt45Fjn9-m8HD_AZwYaPWWdzUzXbHvn3R7iVlu4Rhet7gPc_Mw5entYv66e8s3L4_NquckbRmTMSWkAGzBC0JbKStZQVBS45HVRiFqWnDPMhCglprzgrMaGVtyQSrSam6Y0bI7uTr6Dd58jhKh2bvQ2vVSU4qoiDHOSWPTEarwLwUOrhhRb-0kRrA4dqkOH6tihOnaopiRiJ1FIZJvC_ln_o_oGVpp3bA</recordid><startdate>20190401</startdate><enddate>20190401</enddate><creator>Santos, Antonio C. F.</creator><creator>Vasconcelos, Debora N.</creator><creator>MacDonald, Michael A.</creator><creator>Sant’Anna, Marcelo M.</creator><creator>Tenório, Bruno N. C.</creator><creator>Rocha, Alexandre B.</creator><creator>Morcelle, Viviane</creator><creator>Appathurai, Narayan</creator><creator>Zuin, Lucia</creator><general>Springer Berlin Heidelberg</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><orcidid>https://orcid.org/0000-0001-7402-6594</orcidid></search><sort><creationdate>20190401</creationdate><title>Experimental and theoretical results of resonant and normal Auger decay in dichloromethane</title><author>Santos, Antonio C. F. ; Vasconcelos, Debora N. ; MacDonald, Michael A. ; Sant’Anna, Marcelo M. ; Tenório, Bruno N. C. ; Rocha, Alexandre B. ; Morcelle, Viviane ; Appathurai, Narayan ; Zuin, Lucia</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c319t-17de0ded662f2989be582e494b556b97443036679024543b0d284d186fa4dc7d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><topic>Applications of Nonlinear Dynamics and Chaos Theory</topic><topic>Atomic</topic><topic>Augers</topic><topic>Chlorine</topic><topic>Clusters and Surfaces</topic><topic>Configuration interaction</topic><topic>Dichloromethane</topic><topic>Ionization</topic><topic>Mathematical analysis</topic><topic>Molecular</topic><topic>Molecules</topic><topic>Optical and Plasma Physics</topic><topic>Photoionization</topic><topic>Physical Chemistry</topic><topic>Physics</topic><topic>Physics and Astronomy</topic><topic>Quantum Information Technology</topic><topic>Quantum mechanics</topic><topic>Quantum Physics</topic><topic>Regular Article</topic><topic>Self consistent fields</topic><topic>Spectroscopy/Spectrometry</topic><topic>Spintronics</topic><topic>Topical Issue: Many Particle Spectroscopy of Atoms</topic><topic>Vapor phases</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Santos, Antonio C. F.</creatorcontrib><creatorcontrib>Vasconcelos, Debora N.</creatorcontrib><creatorcontrib>MacDonald, Michael A.</creatorcontrib><creatorcontrib>Sant’Anna, Marcelo M.</creatorcontrib><creatorcontrib>Tenório, Bruno N. C.</creatorcontrib><creatorcontrib>Rocha, Alexandre B.</creatorcontrib><creatorcontrib>Morcelle, Viviane</creatorcontrib><creatorcontrib>Appathurai, Narayan</creatorcontrib><creatorcontrib>Zuin, Lucia</creatorcontrib><collection>CrossRef</collection><jtitle>The European physical journal. D, Atomic, molecular, and optical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Santos, Antonio C. F.</au><au>Vasconcelos, Debora N.</au><au>MacDonald, Michael A.</au><au>Sant’Anna, Marcelo M.</au><au>Tenório, Bruno N. 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2
Cl
2
and CD
2
Cl
2
molecules were investigated both theoretically and experimentally. A series of high-level ab initio quantum mechanical calculations have been performed at multiconfigurational self-consistent field (MCSCF) and multireference configuration interaction (MRCI) levels of theory to compute the Cl L
2,3
VV Auger lines. Calculations were compared with the corresponding experimental photoexcited and photoionized spectra.
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| subjects | Applications of Nonlinear Dynamics and Chaos Theory Atomic Augers Chlorine Clusters and Surfaces Configuration interaction Dichloromethane Ionization Mathematical analysis Molecular Molecules Optical and Plasma Physics Photoionization Physical Chemistry Physics Physics and Astronomy Quantum Information Technology Quantum mechanics Quantum Physics Regular Article Self consistent fields Spectroscopy/Spectrometry Spintronics Topical Issue: Many Particle Spectroscopy of Atoms Vapor phases |
| title | Experimental and theoretical results of resonant and normal Auger decay in dichloromethane |
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