A possible relativistic contribution to the singlet-triplet separation in methylene |
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| Authors: | David Feller Ernest R Davidson |
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| Institution: | Department of Chemistry BG-10, University of Washington, Seattle, Washington 98195, USA |
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| Abstract: | The work of Desclaux et al. indicates that the Fock-Dirac relativistic correction to the s2p3-sp3 energy separation in carbon is of the same order of magnitude as the difference between experimental and theoretical estimates of the singlet-triplet separation in CH2. |
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