Related papers: Photodissociation dynamics of N$_{3}^{+}$
Joint electron-ion energy spectra for the dissociative ionization of a model H$_2^+$ in few-cycle, infrared laser pulses are calculated via the numerical ab initio solution of the time-dependent Schr\"odinger equation. A strong,…
Single-, two-, and three-photon transitions were driven amongst five quantum states of a niobium persistent-current qubit. A multi-level energy-band diagram was extracted using microwave spectroscopy, and avoided crossings were directly…
Motivated by the huge need of data for non-equilibrium plasma modeling, a theoretical investigation of dissociative electron attachment to the NO molecule is performed. The calculations presented here are based on the…
Molecular dimers are widely utilized as a tool to investigate the structure-property relationships behind the complex photophysical processes of condensed-phase systems, where structural tuning remains a challenge. This approach often…
We present a dynamical simulation scheme to model the highly correlated excited state dynamics of linear polyenes. We apply it to investigate the internal conversion processes of carotenoids following their photoexcitation. We use the…
We predict feasibility of the photoassociative formation of Sr_2 molecules in arbitrary vibrational levels of the electronic ground state based on state-of-the-art ab initio calculations. Key is the strong spin-orbit interaction between the…
In order to study electron-transfer mediated chemical processes on a metal surface, one requires not one but two potential energy surfaces (one ground state and one excited state) as in Marcus theory. In this letter, we report that a novel,…
We generalize the theoretical modeling of collective atomic super- and subradiance to the multilevel case including spontaneous emission from several excited states towards a common ground state. We show that in a closely packed ensemble of…
Electric dipole ($E1$) response of $^{6}$He is studied with a fully microscopic six-body calculation. The wave functions for the ground and excited states are expressed as a superposition of explicitly correlated Gaussians (CG). Final state…
Double excitations in organic molecules have garnered significant interest as a result of their importance in singlet fission and photophysics. These excitations play a crucial role in understanding the photoexcitation processes in…
N$_2$ molecules traveling in pulsed supersonic beams have been excited from their ${\mathrm{X\,^1\Sigma_{\mathrm{g}}^+}}$ ground electronic state to long-lived Rydberg states with principal quantum numbers between 39 and 48 using a…
Variational calculations of excited electronic states are carried out by finding saddle points on the surface that describes how the energy of the system varies as a function of the electronic degrees of freedom. This approach has several…
We present the simulation of the photochemical dynamics of cyclobutanone induced by the excitation of the 3s Rydberg state. For this purpose, we apply the complete active space self-consistent field method together with spin-orbit…
Photo-excited charge dynamics of interacting charge-frustrated systems are studied using a spinless fermion model on an anisotropic triangular lattice. Real-time evolution of the system after irradiating a pump-photon pulse is analyzed by…
We present a study of dissociative electron attachment and vibrational excitation processes in electron collisions with the CF$_3$Cl molecule. The calculations are based on the two-dimensional nuclear dynamics including the C-Cl symmetric…
Dynamical properties of photoexcited states are theoretically studied in a one-dimensional Mott insulator dimerized by the spin-Peierls instability. Numerical calculations combined with a perturbative analysis have revealed that the lowest…
We calculate the potential energy curves, the permanent dipole moment curves, and the lifetimes of the ground and excited vibrational states of the heteronuclear alkali dimers XY (X, Y = Li, Na, K, Rb, Cs) in the X1{\Sigma}+ electronic…
The problem of the transition of electron shells of atoms to excited states in the process of neutrinoless double-$\beta$ decay is investigated. This subject is crucial for modeling the energy spectrum of $\beta$-electrons, which is…
We report on high resolution Fourier-transform spectroscopy of fluorescence to the a^3\Sigma_u^+ state excited by two-photon or two-step excitation from the X^1\Sigma_g^+ state to the 2^3\Pi_g state in the molecule K_2. These spectroscopic…
The lifetime of image states, which represent a key quantity to probe the coupling of surface electronic states with the solid substrate, have been recently determined for quantum numbers $n\le 6$ on Cu(100) by using time-resolved…