A recently proposed model potential scheme is used to replace the Is core orbitals for carbon in FSGO calculations. Comparisons with all-electron FSGO results indicate good agreement for C2H6, C2H4, C2H2, C3H6 (cyclopropane), and LiCH3.
|Number of pages||3|
|Journal||Journal of the American Chemical Society|
|Publication status||Published - 1977|
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