A note on the AB initio calculation of intermolecular potentials: the HF dimer

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Abstract

Large scale SCF and CEPA PNO calculations have been performed for the HF dimer. The geometry has been optimized at the SCF level. Stabilization energies and harmonic force constants have been computed and compared with previous results.

Original languageEnglish
Pages (from-to)108-110
Number of pages3
JournalChemical Physics Letters
Volume66
Issue number1
DOIs
StatePublished - Sep 15 1979

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