The momentum distribution in some electronic states of the neutral and singly ionized nitrogen molecule |
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| Authors: | P. Kaijser P. Lindner A. Andersen E. Thulstrup |
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| Affiliation: | Department of Quantum Chemistry, Uppsala University, Uppsala Sweden;Department of Chemistry, Aarhus University, Aarhus, Denmark |
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| Abstract: | Momentum densities for the N2 molecule are investigated. Differences between the ground state and low-lying excited states as well as the effects of ionization are discussed. The densities are calculated by taking Fournier transforms of natural spin orbitals of wavefunctions calculated in a minimal basis with configuration interaction. |
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