Related papers: Non-Adiabatic Electronic and Vibrational Ring-Open…
We investigate ultrafast vibronic dynamics triggered by intense femtosecond infrared pulses in small molecules. Our study is based on numerical simulations performed with 2D model molecules, and analyzed in the perspective of the renown…
The evolution of electron wavepackets determines the course of many physical and chemical phenomena and attosecond spectroscopy aims to measure and control such dynamics in real-time. Here, we investigate radial electron wavepacket motion…
Large-amplitude molecular motions which occur during isomerization can cause significant changes in electronic structure. These variations in electronic properties can be used to identify vibrationally-excited eigenstates which are…
Electrons photoemitted by extreme ultraviolet attosecond pulses derive spatially from the first few atomic surface layers and energetically from the valence band and highest atomic orbitals. As a result, it is possible to probe the emission…
Nontrivial topology in type-II Dirac semimetal NiTe$_2$ leading to topologically protected surface states give rise to fascinating phenomena holding great promise for next-generation electronic and spintronic devices. Key parameters $-$…
Irradiation of a molecular system by an intense laser field can trigger dynamics of both electronic and nuclear subsystems. The lighter electrons usually move on much faster, attosecond time scale but the slow nuclear rearrangement damps…
Quantum interference between multiple pathways in molecular photodissociation often results in angular momentum polarization of atomic products and this can give deep insight into fundamental physical processes. For dissociation of diatomic…
In strongly correlated materials the electronic and optical properties are significantly affected by the coupling of fermionic quasiparticles to different degrees of freedom, such as lattice vibrations and bosonic excitations of electronic…
We show that dressing of diatomic molecules by running laser waves gives rise to conical intersections (CIs). Due to presence of such CIs, the rovibronic molecular motions are strongly coupled. A pronounced impact of the CI on the spectrum…
This report presents a new approach for treating the coupling of electrons and nuclei in quantum mechanical calculations for molecules and condensed matter. It includes the standard "Born-Oppenheimer approximation" as a special case but…
Improving our understanding of electron dynamics is essential for advancing energy transfer, optoelectronics, light harvesting systems and quantum computing. Recent developments in attosecond x-ray sources provide the fundamental…
Attosecond nonlinear Fourier transform (NFT) pump probe spectroscopy is an experimental technique which allows investigation of the electronic excitation, ionization, and unimolecular dissociation processes. The NFT spectroscopy utilizes…
We study theoretically the spin dynamics of the ferric wheel, an antiferromagnetic molecular ring. For a single nuclear or impurity spin coupled to one of the electron spins of the ring, we calculate nuclear and electronic spin correlation…
We investigate the linear and non-linear optical response of two-dimensional (2D) interacting electron fluids confined by a strong non-parabolic potential. We show that such fluids may exhibit higher-harmonic spectra under realistic…
We study spin-phonon coupled dynamics in the vicinity of a sloped conical intersection created by laser coupling the electronic (spin) and vibrational degrees of freedom of a pair of trapped Rydberg ions. We show that the shape of the…
Exact and asymptotic lineshape expressions are derived from the semi-classical density matrix representation describing a set of closed three-level atomic or molecular states including decoherences, relaxation rates and light-shifts. An…
How quantum electron and nuclei motions affect biomolecular chemical reactions remains a central challengeable question at the interface of quantum chemistry and biology. Ultrafast charge migration in deoxyribonucleic acid (DNA) has long…
We consider the interaction of electromagnetic radiation of arbitrary polarization with multi-level atoms in a self-consistent manner, taking into account both spatial and temporal dependencies of local fields. This is done by numerically…
Mean-Field Ring Polymer Molecular Dynamics (MF-RPMD) is a powerful, efficient, and accurate method for approximate quantum dynamic simulations of multi-level system dynamics. Initial efforts to compute nonadiabatic reaction rates using…
Time-resolved investigations of ultrafast electronic and molecular dynamics were not possible until recently. The typical time scale of these processes is in the picosecond to attosecond realm. The tremendous technological progress in…