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Ab initio calculations for ground states of CH2Li and CH2Be

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Abstract

The ground state of CH2Li and CH2Be molecules has been investigated by an SCF calculation using a contracted Gaussian basis set. Only for the second system a bound state with respect to the ground states of the molecular fragments has been found.

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Work performed with the C.N.R. financial aid.

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Lamanna, U., Maestro, M. Ab initio calculations for ground states of CH2Li and CH2Be. Theoret. Chim. Acta 36, 103–108 (1974). https://doi.org/10.1007/BF00554341

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  • DOI: https://doi.org/10.1007/BF00554341

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