The medium response to an impulsive redistribution of charge in solid argon: molecular dynamics simulations and normal mode analysis
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One- and two-photon excitation spectra of sodium atoms on the surface of helium droplets are reported. The spectra are recorded by monitoring the photoionization yield of desorbed atoms as function of excitation frequency. The excitation spectra involving ...
Low pressure plasma spraying (LPPS) is a thermal spraying technique that has found a niche for low oxidation products. It uses a low pressure environment (i.e:, chamber pressure between 2 and 90 kPa) and yields supersonic plasma jets. The enthalpy probe te ...
The authors present a hybrid Car-Parrinello quantum mech./mol. mech. (QM/MM) approach that is capable of treating the dynamics of mol. systems in electronically excited states in complex environments. The potential energy surface in the excited state is de ...
The authors describe two different implementations of time-dependent d. functional theory (TDDFT) for use in excited state mol. dynamics simulations. One is based on the linear response formulation (LR-TDDFT), whereas the other uses a time propagation sche ...
Non-polar solvation dynamics has been investigated using steady-state absorption and emission spectroscopy of the NO A(2)Sigma(+)(3ssigma) Rydberg state in fluid Ar over a wide range of densities spanning the supercritical regime. Equilibrium molecular dyn ...
A complete characterization, based on fs pump-probe spectroscopy and mol. dynamics simulations, is presented of the ultrafast dynamics of electronic bubble formation in solid para-H2 upon impulsive excitation of impurity-doped sites, which correlate with t ...
Low Pressure Plasma Spraying (LPPS) processes use a DC plasma jet expanding at low pressure for fast deposition of dense coatings in a controlled atmosphere. The LPPS technology is widely used industrially in particular in the aeronautics and medical indus ...
Mol.-dynamics simulations of structural relaxation in electronically excited NO-doped solid neon are presented. The NO impurity is excited to its lowest A (3ss) Rydberg state, inducing a rearrangement of the surrounding medium in the form of a bubble, due ...
The dynamics of electron bubble formation upon excitation of the A(3ss) Rydberg orbital of NO in solid Ne was studied by conventional spectroscopy and fs pump-probe spectroscopy. The fs pump pulse initiates the formation of a bubble by the expansion of the ...
The excitation of the Rydberg states is used to study the nonpolar solvation dynamics in supercrit. fluids (SCFs). The system NO in supercrit. Ar serves as the model system. First, the steady-state, absorption and fluorescence spectra of the NO X 2P-A 2S+( ...