Zobrazeno 1 - 10 of 58 pro vyhledávání: '"G. de Brouckere"'
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Configuration interaction calculations on the P2molecule. III. Spectroscopic properties of the A1Pigstate, the A1Pig- X1Sigmag+transition bands and a comparison with the results for the X1Sigmag+, a3Sigmau+, and b3Pi2,gstates and related transition bands
Autor: G de Brouckere, David Feller
Publikováno v: Journal of Physics B: Atomic, Molecular and Optical Physics. 28:3135-3146
Extended basis set, multireference configuration interaction calculations were performed on the A 1Pig excited state of P1. Excellent agreement with experiment was obtained for a variety of spectroscopic properties, including Re, omegac, omegaexe, Bc
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::47a1f63d58cb269a351bcc7ce0aa6147
https://doi.org/10.1088/0953-4075/28/15/008
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2
Configuration interaction calculations on the P2molecule. II. Spectroscopic properties of the b3Π2,gstate, the b3Π2,g- a3Σu+transition bands and the a3Σu+state revisited
Autor: G de Brouckere, David Feller
Publikováno v: Journal of Physics B: Atomic, Molecular and Optical Physics. 28:1393-1410
For pt. I see ibid., vol. 27, p. 1657 (1994). Extended basis set, multireference configuration interaction calculations have been undertaken on the b 3Π2,g and a 3Σu+ excited states of P2. Reference spaces for both states were chosen according to t
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0dc7570f59cf9b56edbee48b74740fba
https://doi.org/10.1088/0953-4075/28/8/005
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3
Configuration interaction calculations on the X1Sigma+ground state and low-lying A1Pi and1Delta excited states of the PN molecule. II. Potential energy curves of the A1Pi and1Delta excited states of PN and spectroscopic properties
Autor: J J A Koot, David Feller, G de Brouckere
Publikováno v: Journal of Physics B: Atomic, Molecular and Optical Physics. 26:1915-1934
For pt.I see ibid., vol.25, no.21, p.4433-46 (1992). CI calculations have been performed on the A 1 Pi and 1 Delta states of PN in the vicinity of their respective equilibrium geometries, yielding spectroscopic constants in good agreement with the av
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0bab422abbb1d2a1519b406bfa87327c
https://doi.org/10.1088/0953-4075/26/13/014
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4
Configuration interaction calculations on the X1Sigma+ground state and low-lying A1Pi and1Delta excited states of the PN molecule. I. Potential energy curve of the X1Sigma+state of PN. Miscellaneous spectroscopic observables
Autor: David Feller, J J A Koot, G. Berthier, G de Brouckere
Publikováno v: Journal of Physics B: Atomic, Molecular and Optical Physics. 25:4433-4445
A series of multireference configuration interaction (CI) calculations using an extended Gaussian basis set have been performed on the X1 Sigma + ground state of the PN molecule in order to accurately determine the potential energy surface in the vic
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1ea9b74dcbd88907956334436828865b
https://doi.org/10.1088/0953-4075/25/21/011
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5
Calf Pain and Cystic Adventitial Disease of the Popliteal Artery
Autor: G. de Brouckere, V. Douillez, Fr. Barvais, Ph. Arend
Publikováno v: Acta Chirurgica Belgica. 106:701-702
In a 61year-old women, suffering a left calf pain for more18 months, a diagnosis of cystic adventitial disease of the popliteal artery was confirmed by scanner. At the operation, we found an intramural cyst of the popliteal artery. A total resection
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c8d09cf3dca82a5d4308b07fb7f2cc7c
https://doi.org/10.1080/00015458.2006.11679985
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6
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7
CI effects on one-electron properties: the case of the electric quadrupole moment of OCS
Autor: G de Brouckere, David Feller, G. Berthier
Publikováno v: Journal of Physics B: Atomic and Molecular Physics. 20:5325-5334
One-electron properties of the OCS molecule have been obtained from SCF and CI wavefunctions using extended Gaussian basis sets. While most properties are in good agreement with experiment, the electric quadrupole moment is an exception. The effect o
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c462a97f981afe81bedb44e6d1bdeb6f
https://doi.org/10.1088/0022-3700/20/20/010
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