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- W2036308052 abstract "Large basis set Ab Initio calculations are reported for the variation of energy and electric dipole moment with internuclear separation for the diatoms ArHe and NeHe. Electron correlation effects are treated explicitly by the self consistent electron pairs method, and are found to be large. The effect of basis set superposition is examined, and found to be significant. Calculated potential well depths De and equilibrium internuclear separation Re compare with the εm and Rm values found by fitting various experimental data. The electric dipole moment pe for the ArHe diatom at distances ≈ RIe is larger than that for the NeHe diatom, in accordance with the fact that the full collision induced absorption spectrum has been observed experimentally only for the latter. The variation of pe with R shows fine structure at R ≈ Re not previously reported." @default.
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- W2036308052 date "1982-02-01" @default.
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- W2036308052 title "Ab initio study of the pair potentials and electric dipole moments of the ArHe and NeHe diatoms" @default.
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- W2036308052 doi "https://doi.org/10.1016/0378-4487(82)80041-1" @default.
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