Molecular orbital calculations for close atomic collisions: The N2system
- 1 March 1973
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 6 (3) , 514-520
- https://doi.org/10.1088/0022-3700/6/3/019
Abstract
The correlation diagram and potential energy of the N2 system has been calculated over the whole range of inter-nuclear separation from zero to infinity. Simple methods have been employed which are designed to yield results of sufficient accuracy to be used in scattering calculations, using a minimum of computing time. Good agreement is obtained with more accurate calculations recently reported by Mulliken.Keywords
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