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http://hdl.handle.net/1942/3171
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DC Field | Value | Language |
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dc.contributor.author | Cai, ZL | - |
dc.contributor.author | FRANCOIS, Jean-Pierre | - |
dc.date.accessioned | 2007-11-27T08:19:17Z | - |
dc.date.available | 2007-11-27T08:19:17Z | - |
dc.date.issued | 1998 | - |
dc.identifier.citation | CHEMICAL PHYSICS LETTERS, 282(1). p. 29-38 | - |
dc.identifier.issn | 0009-2614 | - |
dc.identifier.uri | http://hdl.handle.net/1942/3171 | - |
dc.description.abstract | The potential energy curves, equilibrium bend lengths, harmonic frequencies, first- and second-order anharmonicity constants, rotational constants, centrifugal distortion constants, rotation-vibrational and centrifugal coupling constants, dipole moments, excitation and dissociation energies for the X-2 Sigma(+) and B-2 Sigma(+) states of SiO+ have been calculated at the internally contracted multireference configuration interaction level with Dunning's correlation-consistent polarization valence quadruple zeta basis set. The electronic transition moment function for the B-2 Sigma(+)-X-2 Sigma(+) transition and radiative lifetimes of the B-2 Sigma(+) (nu " = 0-10) states of SiO+ have been studied. Our spectroscopic constants and radiative lifetimes are in excellent agreement with experimental data. (C) 1998 Elsevier Science B.V. | - |
dc.description.sponsorship | ZLC acknowledges a fellowship as a Visiting Professor from the Limburgs Universitair Centrum Ž . LUC . Financial support from the ‘Bijzonder Onderzoeksfonds’ BOF of the LUC is also gratefully Ž . acknowledged. | - |
dc.language.iso | en | - |
dc.publisher | ELSEVIER SCIENCE BV | - |
dc.rights | 1998 Elsevier Science B.V. | - |
dc.subject.other | Correlated Molecular Calculations | - |
dc.subject.other | Beam Laser Spectroscopy | - |
dc.subject.other | Gaussian-Basis Sets | - |
dc.subject.other | B-2-Sigma(+)-A(2)Pi Systems | - |
dc.subject.other | Internuclear Distance | - |
dc.subject.other | Ionization Energies | - |
dc.subject.other | States | - |
dc.subject.other | B-2-Sigma(+)-X(2)Sigma(+) | - |
dc.subject.other | Dependence | - |
dc.subject.other | Affinities | - |
dc.title | An internally contracted multireference configuration interaction analysis of the SiO+ B2∑+-X2 ∑+ transition moment | - |
dc.type | Journal Contribution | - |
dc.identifier.epage | 38 | - |
dc.identifier.issue | 1 | - |
dc.identifier.spage | 29 | - |
dc.identifier.volume | 282 | - |
local.format.pages | 10 | - |
local.bibliographicCitation.jcat | A1 | - |
dc.description.notes | Limburgs Univ Ctr, Dept SBG, Inst Mat Sci IMO, B-3590 Diepenbeek, Belgium.Cai, ZL, Limburgs Univ Ctr, Dept SBG, Inst Mat Sci IMO, Univ Campus, B-3590 Diepenbeek, Belgium. | - |
local.type.refereed | Refereed | - |
local.type.specified | Article | - |
dc.bibliographicCitation.oldjcat | A1 | - |
dc.identifier.doi | 10.1016/S0009-2614(97)01181-0 | - |
dc.identifier.isi | 000072327200005 | - |
dc.identifier.eissn | - | |
local.provider.type | - | |
local.uhasselt.uhpub | yes | - |
item.contributor | Cai, ZL | - |
item.contributor | FRANCOIS, Jean-Pierre | - |
item.fulltext | With Fulltext | - |
item.fullcitation | Cai, ZL & FRANCOIS, Jean-Pierre (1998) An internally contracted multireference configuration interaction analysis of the SiO+ B2∑+-X2 ∑+ transition moment. In: CHEMICAL PHYSICS LETTERS, 282(1). p. 29-38. | - |
item.validation | ecoom 1999 | - |
item.accessRights | Restricted Access | - |
Appears in Collections: | Research publications |
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File | Description | Size | Format | |
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Cai_ZL_1998.pdf Restricted Access | Published version | 137.47 kB | Adobe PDF | View/Open Request a copy |
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