Exchange polarization effects in the interaction of closed-shell systems: The beryllium-beryllium interaction
作者： G Chalasinski , B Jeziorski
DOI: 10.1007/BF00554513
关键词:
摘要: Explicit formulae for the calculation of exchange polarization energy in interaction closed-shell atoms or molecules have been derived by assuming neglect electron correlation within noninteracting systems. The dispersion part has represented as a sum contributions arising from two, three four orbitals at time. Each these is given an integral involving engaged and pair functions describing between orbitals. numerical calculations two ground-state beryllium show that positive quenches about 5 to 10 per cent term. This results decrease energy, computed SCF components, 6 30 interatomic distances ranging 7 bohrs.
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