Spin-polarized atomic nitrogen and the 7Σ+u state of N2
- 15 March 1983
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 78 (6), 3107-3111
- https://doi.org/10.1063/1.445225
Abstract
We present the first self‐consistent field (SCF) calculation of the repulsive 7Σ+u state of molecular nitrogen. This calculation is used with attractive dispersion to provide a model potential for electron spin‐polarized atomic nitrogen N↑ appropriate in the range 2.5≤R≤20a0. Potential parameters obtained from the calculation are used to provide estimates of equilbrium thermodynamic properties of N↑ in the quantum theorem of corresponding states framework. Consideration is given to increased stability of N↑ with respect to single electron spin‐flip processes, as compared to H↑.Keywords
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