Abstract
Quantum chemical calculations, based on multiconfigurational wave functions and including relativistic effects, show that the U2 2+ system has a large number of low-lying electronic states with S of 0 to 2 and A ranging from zero to ten. These states share a very small bond length of about 2.30 Å, compared to 2.43 Å in neutral U 2. The Coulomb explosion to 2 U+ lowers the energy by only 1.6 eV and is separated by a broad barrier.
Original language | English (US) |
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Pages (from-to) | 2415-2417 |
Number of pages | 3 |
Journal | Physical Chemistry Chemical Physics |
Volume | 7 |
Issue number | 12 |
DOIs | |
State | Published - Jun 21 2005 |