Zobrazeno 1 - 10
of 158
pro vyhledávání: '"F. Rebentrost"'
Publikováno v:
Journal of Experimental and Theoretical Physics. 95:413-420
The uniform quasi-classical approximation [14] is used to describe the optical spectra formed during asymmetric collisions between atoms of rare gases in which one of the atoms is in a metastable state. We consider the reactions He(21S) + Ne → He(1
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b346322c79e85e922cf428624d98c365
https://doi.org/10.1134/1.1513813
https://doi.org/10.1134/1.1513813
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 31:689-708
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a953ddad5148145d784c45f0ffbe7290
https://doi.org/10.1088/0953-4075/31/4/018
https://doi.org/10.1088/0953-4075/31/4/018
Publikováno v:
The Journal of Chemical Physics. 105:11347-11356
Quantum and mixed quantum/classical calculations of the photolysis of a HCl adsorbate on a MgO surface are reported. In the quantum calculation of the hydrogen dynamics (with rigid surface and chlorine atoms) a strong oscillatory structure is found i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::11d8805e30764a46ca69d7f6d3897c48
https://doi.org/10.1063/1.472924
https://doi.org/10.1063/1.472924
Publikováno v:
The Journal of Chemical Physics. 105:953-964
We investigate the influence of an internal barrier on an exothermic adiabatic reaction model between diatomic ions and molecules. Reaction cross‐sections are calculated from quasi‐classical trajectories for different initial vibrational and rota
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::009d50ecd6b6e91cdc7019039ded8b86
https://doi.org/10.1063/1.472815
https://doi.org/10.1063/1.472815
Publikováno v:
Chemical Physics. 207:51-62
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::30be2ac38201c72c6c577f37158625b4
https://doi.org/10.1016/0301-0104(96)00043-2
https://doi.org/10.1016/0301-0104(96)00043-2
Autor:
F. Rebentrost, M. Kuchler
Publikováno v:
Surface Science. :207-212
The adatom induced densities in linear and nonlinear order of an external static electric field are calculated for hydrogen on a simple metal with the Lang-Williams chemisorption model. Their behavior as a function of adsorption distance illustrates
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6c3520be2147b9bac6f9923e320347eb
https://doi.org/10.1016/0039-6028(95)00261-8
https://doi.org/10.1016/0039-6028(95)00261-8
Autor:
F. Rebentrost, S. Hollemann
Publikováno v:
Surface Science. :1342-1348
A tight-binding model involving a third-nearest neighbour parameterization of the electronic Hamiltonian is applied in a calculation of the second-order nonlinear susceptibility of a slab representing an ideal unreconstructed Si(111) surface. The dis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9ef2894315c161224eca557d478a370a
https://doi.org/10.1016/0039-6028(95)00291-x
https://doi.org/10.1016/0039-6028(95)00291-x
Local surface structure probed by photodissociation in the system: quantal and classical simulations
Publikováno v:
Surface Science. :1486-1489
The photodissociation of HCl on MgO(001) is studied by classical and quantum methods. The quantum aspect resulting from the hydrogen zero-point motion is also modeled in the classical simulation and has an important influence on the dynamics through
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b60b912e87b2cdfdc793990dce270495
https://doi.org/10.1016/0039-6028(95)00194-8
https://doi.org/10.1016/0039-6028(95)00194-8
Autor:
V.I. Gavrilenko, F. Rebentrost
Publikováno v:
Surface Science. :1355-1360
The nonlinear susceptibilities, χ (2) , for second-harmonic generation at the (111) surfaces of silicon and diamond are studied in the framework of the self-consistent tight-binding theory. The electron-electron and electron-ion Coulomb interactions
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::af029b6c588ea1e7140f4b7a49a4925c
https://doi.org/10.1016/0039-6028(95)00296-0
https://doi.org/10.1016/0039-6028(95)00296-0
Publikováno v:
The Journal of Chemical Physics. 102:578-584
The photodissociation of HCl/MgO (001) is studied by classical molecular dynamics of a single adsorbate system including the substrate phonon modes. An important quantum effect is accounted for by taking the hydrogen coordinates and momenta in the in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b54e876fc6b63069c505708ebc6386df
https://doi.org/10.1063/1.469438
https://doi.org/10.1063/1.469438