[HTML][HTML] Dyson-orbital concepts for description of electrons in molecules

JV Ortiz - The Journal of chemical physics, 2020 - pubs.aip.org
Dyson orbitals, their electron-binding energies, and probability factors provide descriptions
of electrons in molecules that are experimentally verifiable and that generalize qualitatively …

Efficient orbital imaging based on ultrafast momentum microscopy and sparsity-driven phase retrieval

GSM Jansen, M Keunecke, M Düvel… - New Journal of …, 2020 - iopscience.iop.org
We present energy-resolved photoelectron momentum maps for orbital tomography that
have been collected with a novel and efficient time-of-flight momentum microscopy setup …

[HTML][HTML] Combined orbital tomography study of multi-configurational molecular adsorbate systems

P Kliuiev, G Zamborlini, M Jugovac, Y Gurdal… - Nature …, 2019 - nature.com
Molecular reactivity is determined by the energy levels and spatial extent of the frontier
orbitals. Orbital tomography based on angle-resolved photoelectron spectroscopy is an …

[HTML][HTML] kMap. py: A Python program for simulation and data analysis in photoemission tomography

D Brandstetter, X Yang, D Lüftner, FS Tautz… - Computer physics …, 2021 - Elsevier
Ultra-violet photoemission spectroscopy is a widely-used experimental technique to
investigate the valence electronic structure of surfaces and interfaces. When detecting the …

[HTML][HTML] Ultrafast orbital tomography of a pentacene film using time-resolved momentum microscopy at a FEL

K Baumgärtner, M Reuner, C Metzger… - Nature …, 2022 - nature.com
Time-resolved momentum microscopy provides insight into the ultrafast interplay between
structural and electronic dynamics. Here we extend orbital tomography into the time domain …

A minimalist approach to 3D photoemission orbital tomography: algorithms and data requirements

TL Dinh, GSM Jansen, DR Luke… - New Journal of …, 2024 - iopscience.iop.org
Photoemission orbital tomography provides direct access from laboratory measurements to
the real-space molecular orbitals of well-ordered organic semiconductor layers. Specifically …

Photoemission orbital tomography based on tight-binding approach: Method and application to -conjugated molecules

M Nozaki, T Konishi - Physical Review B, 2024 - APS
Conventional photoemission orbital tomography based on the Fourier iterative method
enables us to extract a projected two-dimensional (2D) molecular orbital from a 2D …

[HTML][HTML] Molecular anchoring stabilizes low valence Ni (i) TPP on copper against thermally induced chemical changes

HM Sturmeit, I Cojocariu, M Jugovac… - Journal of Materials …, 2020 - pubs.rsc.org
Many applications of molecular layers deposited on metal surfaces, ranging from single-
atom catalysis to on-surface magnetochemistry and biosensing, rely on the use of thermal …

Polarization and phase textures in lattice plasmon condensates

JM Taskinen, P Kliuiev, AJ Moilanen, P Torma - Nano Letters, 2021 - ACS Publications
Polarization textures of light may reflect fundamental phenomena, such as topological
defects, and can be utilized in engineering light beams. They have been observed, for …

Can photoemission tomography be useful for small, strongly-interacting adsorbate systems?

L Egger, B Kollmann, P Hurdax, D Lüftner… - New Journal of …, 2019 - iopscience.iop.org
Molecular orbital tomography, also termed photoemission tomography, which considers the
final state as a simple plane wave, has been very successful in describing the photoemisson …