R-matrix calculation of low-energy electron collisions with phosphoric acid
Résumé
Electron collision calculations are performed on two conformers of H 3 PO 4, a weakly dipolar form with all OH groups pointing up, and a strongly dipolar form where one OH group points down. Strong evidence is found for a broad shape resonance at about 7 eV for both conformers, although the precise parameters of this resonance are sensitive to the details of the target wavefunction used. 10-state close-coupling calculations suggest the presence of very narrow, Feshbach resonances in a similar energy region. Again both conformers behave similarly. Elastic and electronically inelastic cross sections are calculated for both conformers.
Domaines
Physique [physics]
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PEER_stage2_10.1088%2F0953-4075%2F43%2F23%2F235203.pdf (426.51 Ko)
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