Chivone Y N Chapman

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We present high level ab initio potential energy curves for the M(n+)-RG complexes, where n=1 and 2; RG=He-Rn; and M=Ca, Sr, and Ra. Spectroscopic constants have been derived from these potentials and are compared with a wide range of experimental and previous theoretical data, and good agreement is generally seen. Large changes in binding energy, D(e), and(More)
We present potential energy curves calculated at the CCSD(T) level of theory for Ga(+)-RG and In(+)-RG complexes (RG = He-Rn). Spectroscopic parameters have been derived from these potentials and compared to previously calculated parameters for the Al(+)-RG and Tl(+)-RG complexes. Additionally, for some cases, we compare these parameters with those obtained(More)
We present the results of CCSD(T) calculations on the full set of Al(+)-RG complexes (RG = He-Rn). Potential energy curves are calculated pointwise, employing the full counterpoise correction and basis sets of quadruple-ζ and quintuple-ζ quality, and then extrapolated to the complete basis set limit. Each curve has been employed to calculate rovibrational(More)
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