Abstract
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.
Original language | English |
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Pages (from-to) | 4276-4278 |
Number of pages | 3 |
Journal | Journal of the American Chemical Society |
Volume | 99 |
Issue number | 13 |
Publication status | Published - 1977 |
ASJC Scopus subject areas
- Chemistry(all)