Extended basis set calculations have been performed for the ground state of 0.12 using CI(SD) and the coupled pair functional (CPF) method, a size-consistent moditication of CI(SD). Special emphasis is ,&en to the discussion of (lj Scis saturation effects (up to g functions were included). a) effect
Electronic structure and bonding of Be2
β Scribed by V.E. Bondybey
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 557 KB
- Volume
- 109
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
hscr-induced ~luorcscence of Bez produced by lnscr v3porizntion of the metal is observed and analyzed. The X 'Ed *wund state is characteri-red by re = 2.15 A and D, = 790 5 30 cln = much more srrongly bound _4 t it, and B 'x: -t _ The spectroscopic constants and lifetimes of tlrE z, states arc also obtained. The 8~ molcculsr properties and bonding xc discussed ItrId compared with r&ted species.
π SIMILAR VOLUMES
The Hiickel molecular orbital theory for non-planar conjugated organic molecules has been applied to study the electronic structure and properties of the proposed icosabedral geometry of C,. The results support the suggestion that C, may be the first example of a spherical aromatic molecule. The mol