Home > Publications database > Ab initio study of a mechanically gated molecule: From weak to strong correlation > print |
001 | 16344 | ||
005 | 20230426083026.0 | ||
024 | 7 | _ | |2 DOI |a 10.1103/PhysRevB.84.125413 |
024 | 7 | _ | |2 WOS |a WOS:000294566200016 |
024 | 7 | _ | |2 Handle |a 2128/10925 |
037 | _ | _ | |a PreJuSER-16344 |
041 | _ | _ | |a eng |
082 | _ | _ | |a 530 |
084 | _ | _ | |2 WoS |a Physics, Condensed Matter |
100 | 1 | _ | |0 P:(DE-HGF)0 |a Greuling, A. |b 0 |
245 | _ | _ | |a Ab initio study of a mechanically gated molecule: From weak to strong correlation |
260 | _ | _ | |a College Park, Md. |b APS |c 2011 |
300 | _ | _ | |a 125413 |
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336 | 7 | _ | |2 DataCite |a Output Types/Journal article |
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336 | 7 | _ | |2 BibTeX |a ARTICLE |
336 | 7 | _ | |2 ORCID |a JOURNAL_ARTICLE |
336 | 7 | _ | |2 DRIVER |a article |
440 | _ | 0 | |0 4919 |a Physical Review B |v 84 |x 1098-0121 |y 12 |
500 | _ | _ | |3 POF3_Assignment on 2016-02-29 |
500 | _ | _ | |a We thank the Deutsche Forschungsgemeinschaft for financial support (Grants RO 1318/6-1, AN 275/6-2, and TA 244/5-2). Computational resources have been provided by the John von Neumann Institut fur Computing (NIC) at the Forschungszentrum Julich. |
520 | _ | _ | |a The electronic spectrum of a chemically contacted molecule in the junction of a scanning tunneling microscope can be modified by tip retraction. We analyze this effect by a combination of density-functional, many-body perturbation, and numerical renormalization-group theories taking into account both the nonlocality and the dynamics of electronic correlation. Our findings, in particular the evolution from a broad quasiparticle resonance below to a narrow Kondo resonance at the Fermi energy, correspond to the experimental observations. |
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700 | 1 | _ | |0 P:(DE-HGF)0 |a Rohlfing, M. |b 1 |
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700 | 1 | _ | |0 P:(DE-Juel1)128791 |a Tautz, F.S. |b 3 |u FZJ |
700 | 1 | _ | |0 P:(DE-HGF)0 |a Anders, F.B. |b 4 |
773 | 1 | 8 | |a 10.1103/physrevb.84.125413 |b American Physical Society (APS) |d 2011-09-06 |n 12 |p 125413 |3 journal-article |2 Crossref |t Physical Review B |v 84 |y 2011 |x 1098-0121 |
773 | _ | _ | |a 10.1103/PhysRevB.84.125413 |g Vol. 84, p. 125413 |0 PERI:(DE-600)2844160-6 |n 12 |q 84<125413 |p 125413 |t Physical review / B |v 84 |y 2011 |x 1098-0121 |
856 | 7 | _ | |u http://dx.doi.org/10.1103/PhysRevB.84.125413 |
856 | 4 | _ | |u https://juser.fz-juelich.de/record/16344/files/PhysRevB.84.125413.pdf |y OpenAccess |
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999 | C | 5 | |a 10.1038/nnano.2006.130 |9 -- missing cx lookup -- |2 Crossref |
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999 | C | 5 | |a 10.1007/s00339-008-4837-z |9 -- missing cx lookup -- |2 Crossref |
999 | C | 5 | |a 10.1126/science.1168255 |9 -- missing cx lookup -- |2 Crossref |
999 | C | 5 | |1 S. Chang |y 2009 |2 Crossref |o S. Chang 2009 |
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999 | C | 5 | |a 10.1103/PhysRevB.73.195208 |9 -- missing cx lookup -- |2 Crossref |
999 | C | 5 | |a 10.1103/PhysRevB.69.245322 |9 -- missing cx lookup -- |2 Crossref |
999 | C | 5 | |1 Kampen |y 2003 |2 Crossref |o Kampen 2003 |
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