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We demonstrate the breakdown of molecular-frame dynamics induced by the uncoupling of molecular rotation from electronic motion in molecular Rydberg states. We observe this non-Born-Oppenheimer regime in the time domain through…

Atomic and Molecular Clusters · Physics 2017-07-05 Lucas J. Zipp , Adi Natan , Philip H. Bucksbaum

Magnetic Particle Imaging (MPI) is a promising noninvasive in vivo imaging modality that makes it possible to map the spatial distribution of superparamagnetic nanoparticles by exposing them to dynamic magnetic fields. In the Field-Free…

Numerical Analysis · Mathematics 2025-08-08 Vladyslav Gapyak , Thomas März , Andreas Weinmann

Low-count reconstruction remains a challenge for Positron Emission Tomography (PET) even with the recent progress in time-of-flight (TOF) resolution. In this context, the bias between the acquired histogram, consisting of low values or…

Medical Physics · Physics 2023-01-12 Maxime Toussaint , Francis Loignon-Houle , Roger Lecomte , Jean-Pierre Dussault

Laser-induced electron diffraction is an evolving tabletop method, which aims to image ultrafast structural changes in gas-phase polyatomic molecules with sub-{\AA}ngstr\"om spatial and femtosecond temporal resolution. Here, we provide the…

Photoelectron Angular Distributions (PADs) resulting from 800 nm and 1300 nm strong field ionization of impulsively aligned CF$_3$I molecules were analyzed using time-dependent density functional theory (TDDFT). The normalized difference…

Imaging structures at the molecular level is a fast developing interdisciplinary research field that spans across the boundaries of physics and chemistry. High spatial resolution images of molecules can be obtained with photons or ultrafast…

Atomic Physics · Physics 2016-09-01 R. Puthumpally-Joseph , J. Viau-Trudel , M. Peters , T. T. Nguyen-Dang , O. Atabek , E. Charron

Imaging changes in molecular geometries on their natural femtosecond timescale with sub-Angstrom spatial precision is one of the critical challenges in the chemical sciences, since the nuclear geometry changes determine the molecular…

We describe the results of experiments and simulations performed with the aim of extending photoelectron spectroscopy with intense laser pulses to the case of molecular compounds. Dimer frame photoelectron angular distributions generated by…

The ability to directly follow and time resolve the rearrangement of the nuclei within molecules is a frontier of science that requires atomic spatial and few-femtosecond temporal resolutions. While laser induced electron diffraction can…

An iterative method is derived for image reconstruction. Among other attributes, this method allows constraints unrelated to the radiation measurements to be incorporated into the reconstructed image. A comparison is made with the widely…

Computational Physics · Physics 2011-01-06 Clinton DeW. Van Siclen

In most cases the ultrafast dynamics of resonantly excited molecules are considered, and almost always computed in the molecular frame, while experiments are carried out in the laboratory frame. Here we provide a formalism in terms of a lab…

Chemical Physics · Physics 2022-11-09 Margaret Gregory , Simon Neville , Michael Schuurman , Varun Makhija

A general expression for the double differential cross section of fluorescence radiation following photorecombination (PRF) of polarized electrons and polarized ions is derived by using usual atomic theory methods and is represented in the…

Atomic Physics · Physics 2009-11-11 A. Kupliauskiene

In ultrafast experiments with gas phase molecules, the alignment of the molecular axis relative to the polarization of the interacting laser pulses plays a crucial role in determining the dynamics following this light-matter interaction.…

Chemical Physics · Physics 2025-04-14 Shashank Kumar , Eric Liu , Liang Z. Tan , Varun Makhija , Niranjan Shivaram

A unified method for three-dimensional reconstruction of objects from transmission images collected at multiple illumination directions is described. The method may be applicable to experimental conditions relevant to absorption-based,…

Medical Physics · Physics 2022-12-07 Timur E. Gureyev , Hamish G. Brown , Harry M. Quiney , Leslie J. Allen

Photoelectron angular distributions (PADs) obtained from ionization of potassium atoms using moderately intense femtosecond IR fields ($\sim$10$^{12}$Wcm$^{-2}$) of various polarization states are shown to provide a route to "complete"…

Atomic Physics · Physics 2015-01-15 Paul Hockett , Matthias Wollenhaupt , Christian Lux , Thomas Baumert

In this paper, we discuss the possibility of imaging molecular orbitals from photoelectron spectra obtained via Laser Induced Electron Diffraction (LIED) in linear molecules. This is an extension of our work published recently in Physical…

Atomic Physics · Physics 2017-08-18 R. Puthumpally-Joseph , J. Viau-Trudel , M. Peters , T. T. Nguyen-Dang , O. Atabek , E. Charron

Until recently, theoretical and experimental studies of photoelectron angular distributions (PADs) including non-dipole effects in atomic photo\-ionization have been performed mainly for the conventional plane-wave radiation. One can…

Atomic Physics · Physics 2023-08-21 Maksim D. Kiselev , Elena V. Gryzlova , Alexei N. Grum-Grzhimailo

Accounting for geometry-induced changes in the electronic distribution in molecular simulation is important for capturing effects such as charge flow, charge anisotropy and polarization. Multipolar force fields have demonstrated their…

Chemical Physics · Physics 2022-07-01 Eric D. Boittier , Mike Devereux , Markus Meuwly

The purpose of this study was to present image reconstruction methods for magnetic particle imaging (MPI) with a field-free-line (FFL) encoding scheme and to propose the use of the maximum likelihood-expectation maximization (ML-EM)…

Medical Physics · Physics 2016-06-13 Kenya Murase