Observation of Resonant Tunneling from Molecular Shape into Vibronic Feshbach Resonances Followed by Mode-Specific FragmentationWe present a kinematically complete study of dissociative electron attachment (DEA) in linear OCS molecules, focusing on how electrons resonantly attach and trigger dissociation. Near the…Narayan Kundu, Meenakshi Rana, Aryya Ghosh et al.·May 1, 2025SaveLearn
Triple differential cross-section for Laser-assisted (e,2e) process on H2O molecule by Plane and Twisted electrons ImpactTwisted electron-impact single ionization ((e,2e) process) of water molecule is theoretically studied in the presence of an external laser field. Calculations have been performed in the framework of…Neha, Rakesh Choubisa·Apr 4, 2025SaveLearn
Microcavity-Enhanced Exciton Dynamics in Light-Harvesting Complexes: Insights from Redfield TheoryWe investigated the exciton transfer dynamics in photosynthetic light-harvesting complex 2 (LH2) coupled to an optical microcavity. Using computational simulations based on Redfield theory, we…Ilmari Rosenkampff, Tõnu Pullerits·Apr 2, 2025SaveLearn
Nuclear spin symmetry-breaking and spin polarization in rotational energy level clustersWe present the first quantum mechanical study of hyperfine effects in the rotational cluster states of a symmetric triatomic molecule H2S. Rotational clusters arise from spontaneous symmetry…Andrey Yachmenev, Guang Yang·Mar 26, 2025SaveLearn
Relaxation dynamics in excited helium nanodroplets probed with high resolution, time-resolved photoelectron spectroscopySuperfluid helium nanodroplets are often considered as transparent and chemically inert nanometer-sized cryo-matrices for high-resolution or time-resolved spectroscopy of embedded molecules and…A. C. LaForge, J. D. Asmussen, B. Bastian et al.·Mar 13, 2025SaveLearn
Stability and reactivity of double icosahedron Ag17M2 (M=Ni, Cu, Zn) clustersHerein, the structure and stability of double icosahedron Ag17M2 (M = Ni, Cu, Zn) clusters are investigated using density functional theory (DFT) computations. The results indicate that the…Peter Ludwig Rodríguez-Kessler·Mar 7, 2025SaveLearn
Indirect probing of light-induced nonadiabatic dynamics in lossy nanocavitiesLight-induced nonadiabatic effects can arise from the interaction of a molecule with the quantized electromagnetic field of a Fabry--P\'erot or plasmonic nanocavity. In this context, the quantized…Krisztián Szabó, Csaba Fábri, Gábor J. Halász et al.·Mar 5, 2025SaveLearn
Nonadiabatic laser-induced alignment dynamics of alkali dimers on the surface of a helium dropletAlkali dimers, Ak2, located on the surface of a helium nanodroplet, are set into rotation through the polarizability interaction with a nonresonant 1-ps-long laser pulse. The…Henrik H. Kristensen, Lorenz Kranabetter, Areg Ghazaryan et al.·Feb 20, 2025SaveLearn
Femtosecond-and-atom-resolved solvation dynamics of a Na+ ion in a helium nanodropletRecently, it was shown how the primary steps of solvation of a single Na+ ion, instantly created at the surface of a nanometer-sized droplet of liquid helium, can be followed at the atomic level…Simon H. Albrechtsen, Jeppe K. Christensen, Christian E. Petersen et al.·Feb 17, 2025SaveLearn
Disentangling the components of a multiconfigurational excited state in isolated chromophoreStudying the excited states of doublets is challenging for their typically multiconfigurational character. We employ light-scanning-tunneling microscopy (light-STM) to investigate photon-induced…Rodrigo Cezar de Campos Ferreira, Amandeep Sagwal, Jiří Doležal et al.·Feb 13, 2025SaveLearn
A fast and streamlined method for the measurement of absolute photodetachment and photodissociation cross-sectionsThe absolute photodetachment cross-section characterizes the photostability of atomic and molecular anions against photodestruction by neutralization. The measurement of this quantity has been…Salvi Mohandas, Uma Namangalam, Abheek Roy et al.·Feb 7, 2025SaveLearn
Size effect on polarization bremsstrahlung emission from xenon clustersWe measured the spectral distribution of the absolute differential cross section of both ordinary and polarization ultra-soft X-ray bremsstrahlung for 0.7 keV electrons scattered on substrate-free…Yu. S. Doronin, A. A. Tkachenko, V. L. Vakula et al.·Feb 3, 2025SaveLearn
Extraordinary manifestation of near electrostatic field caused by macroscopic quantum shell effects in submicron hemispherical clustersThe existence of macroscopic shell structure of submicron metal clusters is known for several decades. Since the most studies provide theoretical analysis for clusters of spherical shape, the…S. E. Kuratov, I. S. Galtsov, S. A. Dyachkov et al.·Dec 24, 2024SaveLearn
Interatomic Coulombic decay in lithium-doped large helium nanodroplets induced by photoelectron impact excitationIrradiation of condensed matter with ionizing radiation generally causes direct photoionization as well as secondary processes that often dominate the ionization dynamics. Here, large helium (He)…L. Ben Ltaief, K. Sishodia, J. D. Asmussen et al.·Dec 5, 2024SaveLearn
Photoelectron circular dichroism of a chiral molecule induced by resonant interatomic Coulombic decay from an antenna atomWe show that a nonchiral atom can act as an antenna to induce a photoelectron circular dichroism in a nearby chiral molecule in a three-step process: The donor atom (antenna) is initially resonantly…Stefan Yoshi Buhmann, Andreas Hans, Janine C. Franz et al.·Dec 3, 2024SaveLearn
Time-resolved Coulomb explosion imaging of vibrational wave packets in alkali dimers on helium nanodropletsVibrational wave packets are created in the lowest triplet state of K2 and Rb2 residing on the surface of helium nanodroplets, through non-resonant stimulated…Nicolaj K. Jyde, Henrik H. Kristensen, Lorenz Kranabetter et al.·Nov 19, 2024SaveLearn
Structural and Energetic Stability of the Lowest Equilibrium Structures of Water ClustersIn the present work, the low-lying structures of 20 different-sized water clusters are extensively searched using the artificial bee colony algorithm with TIP4P classical force field. To obtain the…Vishwa K. Bhatt, Sajeev S. Chacko, Nitinkumar M. Bijewar et al.·Nov 1, 2024SaveLearn
Suppression of collision-induced dissociation in a supersonically expanding gasIn high-resolution mass spectrometry, an electrospray ionization source is often paired with an ion-funnel to enhance ion transmission. Although it is established that ions experience…Uma Namangalam, Salvi Mohandas, Hemanth Dinesan et al.·Oct 21, 2024SaveLearn
Low-energy elastic scattering of electrons from 2H-pyran and 4H-pyran with time delay analysis of resonancesElucidating the significance of low-energy electrons in the rupture of DNA/RNA and the process involved in it is crucial in the field of radiation therapy. Capturing of the incident electron in one…Snigdha Sharma, Dhanoj Gupta·Oct 18, 2024SaveLearn
Theoretical design of nanocatalysts based on (Fe2O3)n clusters for hydrogen production from ammoniaThe catalytic activities of high-spin small Fe(III) oxides have been investigated for efficient hydrogen production through ammonia decomposition, using the Artificial Force Induced Reaction (AFIR)…Sapajan Ibragimov, Andrey Lyalin, Sonu Kumar et al.·Sep 29, 2024SaveLearn
High- and low-energy many-body effects of graphene in a unified approachWe show that the many-body features of graphene band structure and electronic response can be accurately evaluated by applying many-body perturbation theory to a tight-binding (TB) model. In…Alberto Guandalini, Giovanni Caldarelli, Francesco Macheda et al.·Sep 26, 2024SaveLearn
An Update to Isomers of Rydberg Excitations in Argon ClustersThe effect of Diabatisation is reported in the excited argon isomers using the Diatomic-In-Molecules (DIM) method. In previous work using DIM, the lowest energy isomers of ArN* were shown as…Mukul Dhiman, Benoit Gervais·Sep 10, 2024SaveLearn
Size-dependent second-order-like phase transitions in Fe nanocluster melting from low-temperature structural isomerizationIn this work, the melting phase transitions of Fen nanoclusters with 10 ≤ n ≤ 100 atoms are investigated using classical many-body molecular dynamics simulations. For many cluster sizes,…Louis E. S. Hoffenberg, Alexander Khrabry, Yuri Barsukov et al.·Sep 3, 2024SaveLearn
Collective states of α-sexithiophene chains inside boron nitride nanotubesNanotubes align molecules into one dimensional chains creating collective states through the coupling of the molecular transition dipole moments. These collective excitations have strong…Sabrina Juergensen, Jean-Baptiste Marceau, Chantal Mueller et al.·Aug 28, 2024SaveLearn
Differentiating Three-Dimensional Molecular Structures using Laser-induced Coulomb Explosion ImagingCoulomb explosion imaging (CEI) with x-ray free electron lasers has recently been shown to be a powerful method for obtaining detailed structural information of gas-phase planar ring molecules [R.…Huynh Van Sa Lam, Anbu Selvam Venkatachalam, Surjendu Bhattacharyya et al.·Aug 15, 2024SaveLearn