Zobrazeno 1 - 10
of 33
pro vyhledávání: '"Bernd M. Nestmann"'
Autor:
Thomas Beyer, Bernd M. Nestmann
Publikováno v:
Chemical Physics. 343:281-291
This study of the threshold behavior in e − + HF scattering presents fixed-nuclei R -matrix calculations for internuclear distances between 1.25 and 2.85 Bohr, including electron correlation to a high amount. On the whole, our results confirm the s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0b59ff670ebc315e2f4f7290df2d7da9
https://doi.org/10.1016/j.chemphys.2007.07.011
https://doi.org/10.1016/j.chemphys.2007.07.011
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 34:3703-3716
We report on ab initio calculations of resonant cross sections for dissociative attachment and vibrational excitation processes in low-energy electron collisions with the CF3Cl molecule. Collision energies up to 3 eV are considered. The results are c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7db94e2c0848a8de0f8685c9c5bdc77a
https://doi.org/10.1088/0953-4075/34/18/308
https://doi.org/10.1088/0953-4075/34/18/308
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 33:4657-4672
Elastic electron scattering off CF3Cl is studied for different nuclear geometries by separating the resonant processes from the scattering background. This separation is performed within the Feshbach projection operator formalism, applied to R-matrix
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4aef982a344e9a987ee70948dd0f65c0
https://doi.org/10.1088/0953-4075/33/21/311
https://doi.org/10.1088/0953-4075/33/21/311
Publikováno v:
Chemical Physics. 255:1-14
We report on ab initio calculations for electron–CF 3 Cl scattering based on the R-matrix approach. Eigenphases and cross-sections are presented for collision energies up to 15 eV in static exchange and static exchange plus polarization (SEP) appro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a7a6c278fcf39008a8ab5a76b3853f7
https://doi.org/10.1016/s0301-0104(00)00062-8
https://doi.org/10.1016/s0301-0104(00)00062-8
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 32:791-814
General expressions are derived for the cross section for scattering from oriented or aligned molecules. The results apply to elastic, inelastic and reactive collisions. It is shown that the essential information on the dynamics is contained in a set
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fa66f8ccbf6ea66017214c0bc4930337
https://doi.org/10.1088/0953-4075/32/3/020
https://doi.org/10.1088/0953-4075/32/3/020
Autor:
Bernd M. Nestmann
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 31:3929-3948
Metastable anionic states are very useful for describing resonances in electron-molecule scattering processes. However, a rigorous definition of such metastable states does not exist and their numerical representation, in particular in cases of very
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c39b0a209259a1069a4986f1bbbb0b78
https://doi.org/10.1088/0953-4075/31/17/017
https://doi.org/10.1088/0953-4075/31/17/017
Publikováno v:
Chemical Physics Letters. 287:255-262
Term values and dipole transition probabilities of the vertical electronic transitions to L -shell excited states of OCS calculated by the configuration interaction method are compared to a well-resolved experimental L -shell excitation spectrum meas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8111e9310ce64f511171f3e16161d763
https://doi.org/10.1016/s0009-2614(98)00180-8
https://doi.org/10.1016/s0009-2614(98)00180-8
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 31:1511-1522
A general theory is developed and numerical results are presented for the angular distribution of molecular Auger electrons emitted after photoabsorption. The angular distribution reflects the dynamical properties of both processes: the photoabsorpti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fb9bb671d1f3d3cb6e05f5151b41f762
https://doi.org/10.1088/0953-4075/31/7/016
https://doi.org/10.1088/0953-4075/31/7/016
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 31:1333-1347
Elastic scattering of electrons by ozone is considered. Calculations, using the polyatomic R-matrix method, at the static exchange level and those including polarization effects are reported. Differential and integral cross sections are presented and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2385613de2667a7be51beeb411de23c6
https://doi.org/10.1088/0953-4075/31/6/018
https://doi.org/10.1088/0953-4075/31/6/018
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 30:3431-3444
Elastic cross sections for electron scattering off cyclopropane are calculated employing the R-matrix formalism. Calculations are reported both within the static exchange approximation and when electron correlation is included at the static exchange
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b409c141cb9c614acf9bcd24d94741e0
https://doi.org/10.1088/0953-4075/30/15/016
https://doi.org/10.1088/0953-4075/30/15/016