相关论文: Ab Initio Molecular Dynamics Relaxation and Inters…

We report an implementation for employing the algebraic diagrammatic construction to second order [ADC(2)] ab initio electronic structure level of theory in nonadiabatic dynamics simulations in the framework of the SHARC (surface hopping…

Intersystem crossing is a radiationless process that can take place in a molecule irradiated by UV-Vis light, thereby playing an important role in many environmental, biological and technological processes. This paper reviews different…

Coupling molecular transition dipole moments to surface-plasmon polaritons (SPPs) results in the formation of new optical quasiparticles, i.e., plexcitons. Mixing the specific properties of matter excitations and light modes has proven to…

Recently, several femtosecond laser techniques have been developed that are capable of bringing gas molecules to extremely fast rotation in a very short time, while keeping their translational motion intact and relatively slow. We…

We investigate the low-filling spin-1 lattice gas in the intermediate interaction regime, in which the atom-atom interaction allows the decomposition of the system into the coupled spin and charge sectors, with lower energetical detuning…

We probe the dynamics of dissociating CS$_2$ molecules across the entire reaction pathway upon excitation. Photoelectron spectroscopy measurements using laboratory-generated femtosecond extreme ultraviolet pulses monitor the competing…

The importance of triplet states in the photorelaxation dynamics of SO2 is studied by mixed quantum-classical dynamics simulations. Using the Surface Hopping including ARbitrary Couplings (Sharc) method, intersystem crossing processes…

Electron spin relaxation rate (eSR) is investigated on several organic semiconductors of different morphologies and molecular structures, using avoided level crossing muon spectroscopy as a local spin probe. We find that two functionalized…

We study the relaxation process in a two-dimensional lattice gas model, where the interactions come from the excluded volume. In this model particles have three arms with an asymmetrical shape, which results in geometrical frustration that…

5-Bromouracil is a nucleobase analogue that can replace thymine in DNA strands and acts as a strong radiosensitizer, with potential applications in molecular biology and cancer therapy. Here, the deactivation of 5-bromouracil after UV…

Autocatalytic reaction system with a small number of molecules is studied numerically by stochastic particle simulations. A novel state due to fluctuation and discreteness in molecular numbers is found, characterized as extinction of…

We investigate spin relaxation dynamics of interlayer excitons in a MoSe2/MoS2 heterostructure induced by the Rashba effect. In such a system, Rashba interactions arise from an out-of-plane electric field due to photo-generated interlayer…

This Chapter is devoted to unravel the relaxation processes taking place after photoexcitation of isolated DNA/RNA nucleobases in gas phase from a time-dependent perspective. To this aim, several methods are at hand, ranging from full…

We report on the optical manipulation of the electron spin relaxation time in a GaAs based heterostructure. Experimental and theoretical study shows that the average electron spin relaxes through hyperfine interaction with the lattice…

Anomalous relaxation is one of the hallmarks of disordered systems. Following perturbation by an external source, many glassy, jammed and amorphous systems relax as a stretched or compressed exponential as a function of time. However,…

The photoinduced excited-state dynamics of the keto and enol forms of cytosine is investigated using ab initio surface hopping in order to understand the outcome of molecular beam femtosecond pump-probe photoionization spectroscopy…

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…

Intermediate spin states that occur in electrostatic dots in the magnetic field regime just beyond the maximum density droplet are investigated. The 5-electron system is studied with exact diagonalization and group theory. The results…

We theoretically study the relaxation of high energy single particle excitations into molecules in a system of attractive fermions in an optical lattice, both in the superfluid and the normal phase. In a system characterized by an…

Femtosecond pump probe experiments are reported on quasiparticle relaxation and recombination in YBa2Cu4O8 as a function of temperature and polarization. The data show a 2-component relaxation similar to YBa2Cu3O7-\delta, one component…