Light-induced ultrafast molecular dynamics: from photochemistry to optochemistry
By precisely controlling the waveform of ultrashort laser fields, electronic and nuclear
motions in molecules can be steered on extremely short time scales, even in the attosecond …
motions in molecules can be steered on extremely short time scales, even in the attosecond …
Use of Gaussian-Type Functions for Describing Fast Ion-Matter Irradiation with Time-Dependent Density Functional Theory
The electronic stopping power is an observable property that quantifies the ability of swift
ions to penetrate matter to transfer energy to the electron cloud. The recent literature has …
ions to penetrate matter to transfer energy to the electron cloud. The recent literature has …
Probing excited electronic states and ionisation mechanisms of fullerenes
JO Johansson, EEB Campbell - Chemical Society Reviews, 2013 - pubs.rsc.org
Fullerenes are interesting model systems for probing the complex, fundamental electron
dynamics and ionisation mechanisms of large molecules and nanoparticles. In this Tutorial …
dynamics and ionisation mechanisms of large molecules and nanoparticles. In this Tutorial …
Coherent Electronic Wave Packet Motion in Controlled by the Waveform and Polarization of Few-Cycle Laser Fields
Strong laser fields can be used to trigger an ultrafast molecular response that involves
electronic excitation and ionization dynamics. Here, we report on the experimental control of …
electronic excitation and ionization dynamics. Here, we report on the experimental control of …
Direct Visualization of Nearly Free Electron States Formed by Superatom Molecular Orbitals in a Li@C60 Monolayer
N Sumi, AV Kuklin, H Ueno, H Okada… - The Journal of …, 2021 - ACS Publications
Using scanning tunneling microscopy (STM) and density functional theory (DFT)
calculations, we directly determine the spatial and energetic distributions of superatom …
calculations, we directly determine the spatial and energetic distributions of superatom …
Light-induced subnanometric modulation of a single-molecule electron source
Single-molecule electron sources of fullerenes driven via constant electric fields,
approximately 1 nm in size, produce peculiar emission patterns, such as a cross or a two …
approximately 1 nm in size, produce peculiar emission patterns, such as a cross or a two …
Band formation in a molecular quantum well via 2D superatom orbital interactions
By scanning tunneling microscopy and spectroscopy, we study nearly free electron band
formation of the σ* lowest unoccupied molecular orbital of C 6 F 6 on a Cu (111) surface. In …
formation of the σ* lowest unoccupied molecular orbital of C 6 F 6 on a Cu (111) surface. In …
Transition from SAMO to Rydberg State Ionization in C60 in Femtosecond Laser Fields
H Li, B Mignolet, Z Wang, KJ Betsch… - The journal of …, 2016 - ACS Publications
The transition between two distinct ionization mechanisms in femtosecond laser fields at 785
nm is observed for C60 molecules. The transition occurs in the investigated intensity range …
nm is observed for C60 molecules. The transition occurs in the investigated intensity range …
Extreme Correlation Effects in the Elusive Bound Spectrum of C60–
We report on large-scale coupled cluster calculations of the electron affinities of the C60
fullerene. The full spectrum of bound states of the anion is investigated. Thereby, a new state …
fullerene. The full spectrum of bound states of the anion is investigated. Thereby, a new state …
Electronic excited states of planar vs bowl-shaped polycyclic aromatic hydrocarbons in interaction with water clusters: a TD-DFT study
N Ben Amor, S Konate, A Simon - Theoretical Chemistry Accounts, 2023 - Springer
In an astrochemical and environmental context, this work constitutes a step forward in
understanding the photo-reactivity of polycyclic aromatic hydrocarbons (PAHs) with water …
understanding the photo-reactivity of polycyclic aromatic hydrocarbons (PAHs) with water …