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Publikováno v:
Journal of Chemical Physics, Vol. 96, No 2 (1992) pp. 1325-1332
Ab initio self-consistent-field (SCF) Hartree–Fock and configuration interaction (CI) calculations have been carried out for H + 2n + 1 (n=1–6) clusters using a triple-zeta plus polarization basis set. Fully optimized structures and energies of H
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::29a8923391f47c6986240216cf5d8119
https://doi.org/10.1063/1.462168
https://doi.org/10.1063/1.462168
