GENERALIZED OSCILLATOR-STRENGTHS OF POLYATOMIC-MOLECULES .3. STIELTJES IMAGING OF CONTINUUM PORTIONS OF THE BETHE SURFACE OF THE H2O MOLECULE

Citation
N. Durante et al., GENERALIZED OSCILLATOR-STRENGTHS OF POLYATOMIC-MOLECULES .3. STIELTJES IMAGING OF CONTINUUM PORTIONS OF THE BETHE SURFACE OF THE H2O MOLECULE, Gazzetta chimica italiana, 126(8), 1996, pp. 505-510
Citations number
36
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Chemistry
Journal title
ISSN journal
0016-5603
Volume
126
Issue
8
Year of publication
1996
Pages
505 - 510
Database
ISI
SICI code
0016-5603(1996)126:8<505:GOOP.S>2.0.ZU;2-D
Abstract
Transition energies and generalized oscillator strengths obtained for H2O by the Random Phase Approximation approach in terms of a very exte nded basis set of Slater-type orbitals provide a discretized represent ation of the ionized continuum spectrum of the molecule. Use of the St ieltjes-imaging technique leads to estimates of the generalized oscill ator strength density associated with continuum portions of the molecu lar Bethe surface.