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- W4248804500 abstract "Potential curves were calculated for eighteen low-lying doublet and quartet states of PN+, using configuration-interaction methods and double-zeta plus polarization and diffuse basis sets. Spectroscopic constants were evaluated for fourteen stable states. The X 2Σ+ ground state lies very close to A 2Π (0.34 eV calculated). The 2 2Σ+ state has two shallow minima of similar energy, being due to σ* → σ at smaller R, and π → π* at larger R. For N2+, σ* → σ is much lower in energy than π → π*, whereas the opposite situation applies to P2+." @default.
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- W4248804500 date "1988-03-01" @default.
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- W4248804500 title "Electronic states of PN+ obtained by configuration-interaction studies" @default.
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- W4248804500 doi "https://doi.org/10.1016/0301-0104(88)87224-0" @default.
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