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Electronic band structure of pentacene: An experimental and theoretical study
S. Berkebile, P. Puschnig, G. Koller, M. Oehzelt, F. P. Netzer, C. Ambrosch-Draxl, and M. G. Ramsey
Phys. Rev. B 77, 115312 (2008)
doi.org/10.1103/physrevb.77.115312
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Reconstruction of Molecular Orbital Densities from Photoemission Data
P. Puschnig, S. Berkebile, A. J. Fleming, G. Koller, K. Emtsev, T. Seyller, J. D. Riley, C. Ambrosch-Draxl, F. P. Netzer, and M. G. Ramsey
Science 326, 702 (2009)
doi.org/10.1126/science.1176105
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Orbital Density Reconstruction for Molecules
M. Dauth, T. Körzdörfer, S. Kümmel, J. Ziroff, M. Wiessner, A. Schöll, F. Reinert, M. Arita, and K. Shimada
Phys. Rev. Lett. 107(19), 193002 (2011)
doi.org/10.1103/physrevlett.107.193002
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Imaging the wave functions of adsorbed molecules
D. Lüftner, T. Ules, E. M. Reinisch, G. Koller, S. Soubatch, F. S. Tautz, M. G. Ramsey, and P. Puschnig
Proc. Nat. Acad. Sci. U. S. A. 111(2), 605 (2014)
doi.org/10.1073/pnas.1315716110
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Orbital Tomography of Hybridized and Dispersing Molecular Overlayers
T. Ules, D. Lüftner, E. M. Reinisch, G. Koller, P. Puschnig, and M. G. Ramsey
Phys. Rev. B 90, 155430 (2014)
doi.org/10.1103/physrevb.90.155430
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First-Principles Photoemission Spectroscopy and Orbital Tomography in Molecules from Koopmans-Compliant Functionals
N. L. Nguyen, G. Borghi, A. Ferretti, I. Dabo, and N. Marzari
Phys. Rev. Lett. 114(16), 166405 (2015)
doi.org/10.1103/physrevlett.114.166405
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Orbital tomography: molecular band maps, momentum maps and the imaging of real space orbitals of adsorbed molecules
H. Offenbacher, D. Lüftner, T. Ules, E. M. Reinisch, G. Koller, P. Puschnig, and M. G. Ramsey
Journal of Electron Spectroscopy and Related Phenomena 204A, 92 (2015)
doi.org/10.1016/j.elspec.2015.04.023
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Simulation of angle-resolved photoemission spectra by approximating the final state by a plane wave: from graphene to polycyclic aromatic hydrocarbon molecules
P. Puschnig and D. Lüftner
J. Elec. Spec. Rel. Phen. 200, 193 (2015)
doi.org/10.1016/j.elspec.2015.06.003
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Application of iterative phase-retrieval algorithms to ARPES orbital tomography
P. Kliuiev, T. Latychevskaia, J. Osterwalder, M. Hengsberger, and L. Castiglioni
New J. Phys. 18, 093041 (2016)
doi.org/10.1088/1367-2630/18/9/093041
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Continuous vs discrete tuning of the band alignment
T. Ules, D. Lüftner, E. M. Reinisch, G. Koller, P. Puschnig, and M. G. Ramsey
Phys. Rev. B 94, 205405 (2016)
doi.org/10.1103/physrevb.94.205405
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Dynamics of Molecular Orientation Observed Using Angle Resolved Photoemission Spectroscopy during Deposition of Pentacene on Graphite
S. H. Park and S. Kwon
Analytical Chemistry 88(0), 4565 (2016)
doi.org/10.1021/acs.analchem.6b00986
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Charge Transfer and Orbital Level Alignment at Inorganic/Organic Interfaces: The Role of Dielectric Interlayers
M. Hollerer, D. Lüftner, P. Hurdax, T. Ules, S. Soubatch, F. S. Tautz, G. Koller, P. Puschnig, M. Sterrer, and M. G. Ramsey
ACS Nano 11, 6252 (2017)
doi.org/10.1021/acsnano.7b02449
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Multiple scattering approach to photoemission from the highest occupied molecular orbital of pentacene
N. Komiya, K. Hatada, F. Ota, P. Krüger, T. Fujikawa, and K. Niki
Journal of Electron Spectroscopy and Related Phenomena 220, 21 (2017)
doi.org/10.1016/j.elspec.2017.04.002
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Algorithms and image formation in orbital tomography
P. Kliuiev, T. Latychevskaia, G. Zamborlini, M. Jugovac, C. Metzger, M. Grimm, A. Schöll, J. Osterwalder, M. Hengsberger, and L. Castiglioni
Phys. Rev. B 98(8), 085426 (2018)
doi.org/10.1103/physrevb.98.085426
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Molecular orbital imaging beyond the first monolayer: Insights into the pentacene/Ag(110) interface
M. Grimm, C. Metzger, M. Graus, M. Jugovac, G. Zamborlini, V. Feyer, A. Schöll, and F. Reinert
Phys. Rev. B 98(19), 195412 (2018)
doi.org/10.1103/physrevb.98.195412
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Photoelectron Diffraction from Valence States of Oriented Molecules
P. Krüger
Journal of the Physical Society of Japan 87(6), 061007 (2018)
doi.org/10.7566/jpsj.87.061007
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Photoemission Tomography: Valence Band Photoemission as a Quantitative Method for Investigating Molecular Films
P. Puschnig and M. Ramsey
Encyclopedia of Interfacial Chemistry, 380 (2018)
doi.org/10.1016/b978-0-12-409547-2.13782-5
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Synthesis and combined experimental and theoretical characterization of dihydro-tetraaza-acenes
B. Kollmann, Z. Chen, D. Lüftner, O. Siri, and P. Puschnig
J. Phys. Chem. C 122, 6475 (2018)
doi.org/10.1021/acs.jpcc.8b00985
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Coexisting Charge States in a Unary Organic Monolayer Film on a Metal
X. Yang, L. Egger, J. Fuchsberger, M. Unzog, D. Lüftner, F. Hajek, P. Hurdax, M. Jugovac, G. Zamborlini, V. Feyer, G. Koller, P. Puschnig, F. S. Tautz, M. G. Ramsey, and S. Soubatch
The Journal of Physical Chemistry Letters 10, 6438 (2019)
doi.org/10.1021/acs.jpclett.9b02231
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Controlling the Charge Transfer across Thin Dielectric Interlayers
P. Hurdax, M. Hollerer, P. Puschnig, D. Lüftner, L. Egger, M. G. Ramsey, and M. Sterrer
Advanced Materials Interfaces 7, 2000592 (2020)
doi.org/10.1002/admi.202000592
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Controlling the electronic and physical coupling on dielectric thin films
P. Hurdax, M. Hollerer, L. Egger, G. Koller, X. Yang, A. Haags, S. Soubatch, F. S. Tautz, M. Richter, A. G. P. Puschnig, M. Sterrer, and M. G. Ramsey
Beilstein J. Nanotechnol. 11, 1492 (2020)
doi.org/10.3762/bjnano.11.132
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kMap.py: A Python program for simulation and data analysis in photoemission tomography
D. Brandstetter, X. Yang, D. Lüftner, F. S. Tautz, and P. Puschnig
Comp. Phys. Commun. 263, 107905 (2021)
doi.org/10.1016/j.cpc.2021.107905
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Ultrafast orbital tomography of a pentacene film using time-resolved momentum microscopy at a FEL
K. Baumgärtner, M. Reuner, C. Metzger, D. Kutnyakhov, M. Heber, F. Pressacco, C. Min, T. R. F. Peixoto, M. Reiser, C. Kim, W. Lu, R. Shayduk, M. Izquierdo, G. Brenner, F. Roth, A. Schöll, S. Molodtsov, W. Wurth, F. Reinert, A. Madsen, D. Popova-Gorelova, and M. Scholz
Nature Communications 13(1), 2741 (2022)
doi.org/10.1038/s41467-022-30404-6
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Orbital-resolved observation of singlet fission
A. Neef, S. Beaulieu, S. Hammer, S. Dong, J. Maklar, T. Pincelli, R. P. Xian, M. Wolf, L. Rettig, J. Pflaum, and R. Ernstorfer
Nature 616(7956), 275 (2023)
doi.org/10.1038/s41586-023-05814-1
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A minimalist approach to 3D photoemission orbital tomography: algorithms and data requirements
T. L. Dinh, G. S. M. Jansen, D. R. Luke, W. Bennecke, and S. Mathias
New J. Phys. 26, 043024 (2024)
doi.org/10.1088/1367-2630/ad3e22
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Bottom-up realization of a type-II organic-TMD heterointerface: Pentacene on monolayer WS2
M. Capra, C. S. Kern, M. S. Arndt, K. J. Schiller, M. Niederreiter, F. Presel, I. D. Bernardo, M. Gruenewald, T. Fritz, S. Tappertzhofen, M. Sterrer, P. Puschnig, M. Cinchetti, and G. Zamborlini
arxiv 2604.24671 (2026)
doi.org/10.48550/arxiv.2604.24671
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Circular dichroism in the photoelectron angular distribution of achiral molecules
C. S. Kern, X. Yang, G. Zamborlini, S. Mearini, M. Jugovac, V. Feyer, U. De Giovannini, A. Rubio, S. Soubatch, M. G. Ramsey, F. S. Tautz, and P. Puschnig
Phys. Rev. Res. 8(2), 023275 (2026)
doi.org/10.1103/6bkb-4rm3