https://doi.org/10.1140/epjd/e2003-00239-9
Study of the structural photoinduced dynamics of a solid Kr matrix with an NO impurity
1
Departamento de Física, Universidad de Pinar del Río, Martí
270, Esq. 27 de Noviembre, Pinar del Río, Cuba
2
Departamento de Física General y Matemáticas, Instituto Superior de
Ciencias y Tecnología Nucleares Quinta de los Molinos, Ave. Carlos III y
Luaces, Plaza C. Habana, Cuba
Corresponding authors: a juanc@geo.upr.edu.cu - b luisberis@geo.upr.edu.cu - c german@fctn.isctn.edu.cu - d jrs@fctn.isctn.edu.cu
Received:
13
October
2002
Revised:
27
February
2003
Published online:
30
July
2003
In the present work we studied the immediate medium response to the excitation
to the Rydberg state of NO impurity embedded in a solid Kr
matrix. The excitation, extended over a large range of the lattice was
investigated by classical molecular dynamics simulations. This has been done
using Lennard-Jones pair potentials from the literature for the
interactions and fitted in this work for the
ones, since these last have not been reported in literature. Thus is
obtained the first shell response to the excitation of the impurity
(approximately the first 2 ps) as well as the response of the continuous
shells up to the 10th one. This first response of the first shell
is compared to that for similar systems (Ne and Ar matrixes doped with NO).
Therefore some theoretical conclusions are drawn. The results indicate the
inertial character of the response propagation throughout the surrounding
medium and the high degree of nuclear coherence at short times.
PACS: 34.30.+h – Intramolecular energy transfer; intramolecular dynamics; dynamics of van der Waals molecules / 02.70.Ns – Molecular dynamics and particle methods / 31.70.Ks – Molecular solids
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2003