Zobrazeno 1 - 10
of 64
pro vyhledávání: '"F P Larkins"'
Autor:
F Wang, F P Larkins
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 31:3789-3802
Soft x-ray emission spectra of the open shell NO molecule are simulated using multiconfiguration self-consistent field ab initio calculations with an extensive triple zeta atomic natural orbital basis set. All states involved in the spectral simulati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3962c1b5aca7a1deb35b9580995e477f
https://doi.org/10.1088/0953-4075/31/17/007
https://doi.org/10.1088/0953-4075/31/17/007
Autor:
F P Larkins, F Wang
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 31:1649-1656
The N 1s and O 1s cores to antibonding transitions for the NO molecule have been investigated using a multiconfiguration self-consistent field approach. The core excitation spectra have been simulated using a Lorentzian band shape function with the f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::284738bab9b08772c2e5ab8c608edf15
https://doi.org/10.1088/0953-4075/31/8/015
https://doi.org/10.1088/0953-4075/31/8/015
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 28:1673-1686
For pt.I see ibid., vol.28, p.357-72 (1995) X-ray emission transition energies and probabilities have been calculated for the 3 pi and 8 sigma core-excited resonant states of the nitrogen atoms in the N2O molecule at the ab initio Delta SCF level. In
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::37e4098c29c281dbab1261adca2b5939
https://doi.org/10.1088/0953-4075/28/9/007
https://doi.org/10.1088/0953-4075/28/9/007
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 28:357-372
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::585857816130d3e84edcfa60c5268761
https://doi.org/10.1088/0953-4075/28/3/008
https://doi.org/10.1088/0953-4075/28/3/008
Autor:
B Lohmann, F P Larkins
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 27:L143-L152
Auger transitions having a non-vanishing spin polarization are usually anisotropic with respect to their angular distribution. The spin polarization vector components depend also on the angular distribution of the Auger electrons. Thus, their experim
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::132fec170b132ec5880f5eae301d20ba
https://doi.org/10.1088/0953-4075/27/8/003
https://doi.org/10.1088/0953-4075/27/8/003
Autor:
F P Larkins, A J Seen
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 25:4811-4822
The energies and absolute transition probabilities of X-ray emission diagram lines associated with the ethanol molecule have been determined using an ab initio molecular orbital method with a relaxed Hartree-Fock multicentre model. The contribution t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1ae0b316cb7bd626c8578748f56e10be
https://doi.org/10.1088/0953-4075/25/22/016
https://doi.org/10.1088/0953-4075/25/22/016
Autor:
F P Larkins, G. B. Armen
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 261:79-89
Various concepts which arise in connection with correlation effects in photoionization are examined through a simple example: the He Is cross-section calculation. The classification of correlation is examined from the viewpoint of the frozen orbital
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f07cd64ec0c8a5ab6f39e70f3033e24d
https://doi.org/10.1016/0166-1280(92)87067-a
https://doi.org/10.1016/0166-1280(92)87067-a
Autor:
G B Armen, F P Larkins
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 25:931-947
The rates of decay, both radiative and non-radiative, have been calculated for the valence shake-up states (vP2)nl of Ne (v=2) and Ar (v=3). The only possible non-radiative decay mode is the valence-multiplet participator Auger transition: (vp2) (LS)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6504d1a3d9ef6e010ebe17c9caf20a5c
https://doi.org/10.1088/0953-4075/25/5/009
https://doi.org/10.1088/0953-4075/25/5/009
Autor:
E Z Chelkowska, F P Larkins
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 24:5083-5090
Auger spectra for the silane molecule associated with an initial 1s, 2s or 2p hole on the silicon atom have been calculated using a semi-empirical INDO molecular orbital model to determine energies and transition probabilities. The interpretation of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::86db9c3b669e36e185192f3cc84f43a8
https://doi.org/10.1088/0953-4075/24/24/008
https://doi.org/10.1088/0953-4075/24/24/008
Autor:
F P Larkins, G. B. Armen
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 24:2675-2685
An extension of previous single-channel calculations is presented for the photoionization cross sections of Li 1s diagram and conjugate shake-up satellite lines. The extension includes the effects of interchannel interaction to first order in the cha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::031473ec4fe5bfa686f986611494fd94
https://doi.org/10.1088/0953-4075/24/11/010
https://doi.org/10.1088/0953-4075/24/11/010