Ultrafast Structural dynamics in solid hydrogens: A model for condensed phase quantum systems
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Excitation of the A(3ss) Rydberg state of NO leads to an extensive rearrangement of the environment, which was studied by classical mol. dynamics simulations and normal mode anal., using pair potentials from the literature. The medium response is independe ...
Structural dynamics in semi-quantum and quantum solids (Ne, H2 and D2) is reported, and compared to results in classical solids such as Ar. The structural dynamics is driven by excitation of the lowest Rydberg state of the NO impurity. The resulting charge ...
The medium response of solid hydrogens to an impulsive perturbation has been studied using Rydberg excitation of an NO impurity. This leads to formation of an "electronic" bubble which corresponds to a cage radius increment of about 25%. The process has ...
The range of chem. problems that are directly accessible to first-principles mol. dynamics simulations based on d. functional theory is extended with a novel method apt to accelerate rare reactive events. The introduction of a finite electronic temp. withi ...
We present a novel method, canonical adiabatic free energy sampling (CAFES) that allows for the efficient exploration of the free energy surface of a subsystem (S) embedded in an environment (E) using mol. dynamics simulations. The dynamics of S is decoupl ...
The dynamics of electron bubble formation upon excitation of the A(3ss) Rydberg orbital of NO in solid Ne was studied by femtosecond pump-probe spectroscopy. The authors observe an ultrafast expansion of the bubble, followed by a vibrational recurrence in ...
The dynamics of non-polar electronic solvation has been studied on a model system consisting of NO-doped solid Ar. Excitation of the lowest Rydberg state A(3ss) of NO leads to formation of an electronic 'bubble', which has been studied by femtosecond pump- ...
We report on structural dynamics in simple van der Waals solids (Ar, Ne, and H2), as driven by the excitation of an impurity (NO) Rydberg state. The resulting charge redistribution induces a local radial deformation of the medium ("bubble" formation). Th ...
Higher Rydberg states of NO trapped in rare gas matrixes were studied by inducing Rydberg-Rydberg transitions from the lowest A2S+ (3ss) Rydberg state and detecting its fluorescence depletion. This technique unravels Rydberg states, which cannot be accesse ...
A model based on fluid dynamics is proposed, which describes the dynamics of a photoinduced spherical deformation in solid hydrogen. The dynamics is driven by femtosecond excitation of the lowest A(3ss) Rydberg state of NO trapped in an H2 crystal, leading ...
