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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3012-3019 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Ab initio multireference configuration interaction calculations yield an electron affinity of 0.604±0.03 eV for methylene (3B1), in excellent agreement with the best observed value of 0.628±0.031 eV. The estimated theoretical error limit of 0.03 eV is based on energy convergence with respect to systematic expansion of both reference configuration space and one-particle basis set. Convergence to the full CI electron affinity is rapid, and significantly accelerated when corrections for quadruple electron excitations are included.
    Type of Medium: Electronic Resource
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