The unusual behavior of the A 2Πu state of the O2− ion
- 15 February 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 72 (4) , 2327-2331
- https://doi.org/10.1063/1.439479
Abstract
The inner wall of a recently calculated potential energy curve of the A 2Πu state of the O2− ion shows a curious falttening. To explain and correct this, various aspects of the model used for the MCSCF calculations are analyzed. The interesting finding is that for the adiabatic potential curve the flattening is real and at distances 2Πu state has a lower energy than the lowest valence 2Πu state. This leads to a distortion of the repulsive wall of the adiabatic A 2Πu state and also to a potential well in the complementary adiabatic B 2Πu state (which is valence in character at short distances and Rydberg‐like at large distances). Implications of this avoided crossing for electron scattering from O2 are discussed.Keywords
This publication has 6 references indexed in Scilit:
- Accurate a b i n i t i o potential curves for the X 2Πg, A 2Πu, a 4Σ−u, and 2Σ−u states of the 0−2 ionThe Journal of Chemical Physics, 1978
- Electron impact excitation of high vibrational levels of the H2, NO and O2ground statesJournal of Physics B: Atomic and Molecular Physics, 1977
- Rydberg and valence-shell states and their interactionChemical Physics Letters, 1977
- Dissociative attachment from the O2(a1Δg) stateThe Journal of Chemical Physics, 1973
- Angular Distribution offrom Dissociative Electron Attachment toPhysical Review A, 1970
- Calculation of Dissociative Attachment in HotPhysical Review B, 1967